N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-phenyl-propionamide Formula: C23H20ClN5OS MolecularWeight: 449.9558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)CCC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H20ClN5OS/c1-15-13-20-21(28-29(27-20)18-10-8-17(24)9-11-18)14-19(15)25-23(31)26-22(30)12-7-16-5-3-2-4-6-16/h2-6,8-11,13-14H,7,12H2,1H3,(H2,25,26,30,31)