N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C28H29N3O4S2 MolecularWeight: 535.67756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C28H29N3O4S2/c1-4-33-22-15-20(16-23(34-5-2)25(22)35-6-3)26(32)31-28(36)29-17-18-11-13-19(14-12-18)27-30-21-9-7-8-10-24(21)37-27/h7-16H,4-6,17H2,1-3H3,(H2,29,31,32,36)