N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[4-(4-chlorophenyl)thiazol-2-yl]carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[[4-(4-chlorophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[[4-(4-chlorophenyl)thiazol-2-yl]thiocarbamoyl]-3-isobutoxy-benzamide Formula: C21H20ClN3O2S2 MolecularWeight: 445.9854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O2S2/c1-13(2)11-27-17-5-3-4-15(10-17)19(26)24-20(28)25-21-23-18(12-29-21)14-6-8-16(22)9-7-14/h3-10,12-13H,11H2,1-2H3,(H2,23,24,25,26,28)