N-[[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[5-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[5-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C24H29ClN4O2S MolecularWeight: 473.03066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)N3CCN(CC3)C(=O)C(C)C)C

InChI

InChI=1S/C24H29ClN4O2S/c1-15(2)23(31)29-11-9-28(10-12-29)21-8-7-19(25)14-20(21)26-24(32)27-22(30)18-6-5-16(3)17(4)13-18/h5-8,13-15H,9-12H2,1-4H3,(H2,26,27,30,32)