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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-3-isopropoxy-benzamide Formula: C29H31ClN4O3S MolecularWeight: 551.09944

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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(=CC=C4)OC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN4O3S/c1-19(2)37-23-9-6-8-21(17-23)27(35)32-29(38)31-22-11-12-26(25(30)18-22)33-13-15-34(16-14-33)28(36)24-10-5-4-7-20(24)3/h4-12,17-19H,13-16H2,1-3H3,(H2,31,32,35,38)