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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C25H22ClN3O3S2 MolecularWeight: 512.04348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)OCC

InChI

InChI=1S/C25H22ClN3O3S2/c1-3-31-17-11-15(12-18(14-17)32-4-2)23(30)29-25(33)28-20-10-9-16(26)13-19(20)24-27-21-7-5-6-8-22(21)34-24/h5-14H,3-4H2,1-2H3,(H2,28,29,30,33)