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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C27H27N3O4S2/c1-4-32-21-15-17(16-22(33-5-2)24(21)34-6-3)25(31)30-27(35)29-19-12-8-7-11-18(19)26-28-20-13-9-10-14-23(20)36-26/h7-16H,4-6H2,1-3H3,(H2,29,30,31,35)