N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-benzamide

Systemtic Name: N-[[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[5-chloro-2-(4-isovalerylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-benzamide Formula: C24H29ClN4O3S MolecularWeight: 489.03006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=S)NC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H29ClN4O3S/c1-16(2)13-22(30)29-11-9-28(10-12-29)21-8-7-18(25)15-20(21)26-24(33)27-23(31)17-5-4-6-19(14-17)32-3/h4-8,14-16H,9-13H2,1-3H3,(H2,26,27,31,33)