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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C27H26ClN3O4S2 MolecularWeight: 556.09604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C27H26ClN3O4S2/c1-4-33-21-13-16(14-22(34-5-2)24(21)35-6-3)25(32)31-27(36)29-17-11-12-18(19(28)15-17)26-30-20-9-7-8-10-23(20)37-26/h7-15H,4-6H2,1-3H3,(H2,29,31,32,36)