N-methyl-4-[(E)-3-[[2-[1-methyl-1-(methylamino)-2-methylsulfanyl-4-phenylmethoxy-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)-2-methylsulfanyl-4-phenylmethoxy-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-methylsulfanyl-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)-2-(methylthio)-4-phenylmethoxy-5-benzimidazol-1-iumyl]-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzamide IUPAC Name: N-methyl-4-[(E)-3-[[2-[1-methyl-1-(methylamino)-2-methylsulfanyl-4-phenylmethoxybenzimidazol-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-(methylthio)benzimidazol-1-ium-5-yl]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]-N-methyl-benzamide Formula: C30H32N5O4S+ MolecularWeight: 558.67118

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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(=N3)SC)(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(=N3)SC)(C)NC)OCC4=CC=CC=C4

InChI

InChI=1S/C30H31N5O4S/c1-31-29(38)22-13-10-20(11-14-22)12-17-26(37)33-18-25(36)23-15-16-24-27(34-30(40-4)35(24,3)32-2)28(23)39-19-21-8-6-5-7-9-21/h5-17,32H,18-19H2,1-4H3,(H-,31,33,37,38)/p+1/b17-12+