N-methyl-4-[(E)-3-[[2-[1-methyl-1-(methylamino)-4-phenylmethoxy-2-sulfanylidene-3H-benzimidazol-1-ium-5-yl]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]benzamide

Systemtic Name: N-methyl-4-[(E)-3-[[2-[1-methyl-1-(methylamino)-4-phenylmethoxy-2-sulfanylidene-3H-benzimidazol-1-ium-5-yl]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-prop-1-enyl]benzamide Openeye Name: 4-[(E)-3-[[2-[4-benzyloxy-1-methyl-1-(methylamino)-2-thioxo-3H-benzimidazol-1-ium-5-yl]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]-N-methyl-benzamide CAS Name: N-methyl-4-[(E)-3-[[2-[1-methyl-1-(methylamino)-4-phenylmethoxy-2-sulfanylidene-3H-benzimidazol-1-ium-5-yl]-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzamide IUPAC Name: N-methyl-4-[(E)-3-[[2-[1-methyl-1-(methylamino)-4-phenylmethoxy-2-sulfanylidene-3H-benzimidazol-1-ium-5-yl]-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzamide Traditional Name: 4-[(E)-3-[[2-[4-benzoxy-1-methyl-1-(methylamino)-2-thioxo-3H-benzimidazol-1-ium-5-yl]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]-N-methyl-benzamide Formula: C29H30N5O4S+ MolecularWeight: 544.6446

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C=CC(=O)NCC(=O)C2=C(C3=C(C=C2)[N+](C(=S)N3)(C)NC)OCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)/C=C/C(=O)NCC(=O)C2=C(C3=C(C=C2)[N+](C(=S)N3)(C)NC)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N5O4S/c1-30-28(37)21-12-9-19(10-13-21)11-16-25(36)32-17-24(35)22-14-15-23-26(33-29(39)34(23,3)31-2)27(22)38-18-20-7-5-4-6-8-20/h4-16,31H,17-18H2,1-3H3,(H2-,30,32,33,36,37,39)/p+1/b16-11+