N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C33H31ClN4O3S MolecularWeight: 599.14224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C33H31ClN4O3S/c1-23-7-5-6-10-28(23)32(40)38-19-17-37(18-20-38)30-16-13-26(21-29(30)34)35-33(42)36-31(39)25-11-14-27(15-12-25)41-22-24-8-3-2-4-9-24/h2-16,21H,17-20,22H2,1H3,(H2,35,36,39,42)