N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C29H23N3O2S2 MolecularWeight: 509.64182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H23N3O2S2/c1-19-7-16-25-26(17-19)36-28(31-25)22-8-12-23(13-9-22)30-29(35)32-27(33)21-10-14-24(15-11-21)34-18-20-5-3-2-4-6-20/h2-17H,18H2,1H3,(H2,30,32,33,35)