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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C24H29ClN4O4S MolecularWeight: 505.02946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O4S/c1-15(2)23(31)29-9-7-28(8-10-29)21-6-5-17(13-20(21)25)26-24(34)27-22(30)16-11-18(32-3)14-19(12-16)33-4/h5-6,11-15H,7-10H2,1-4H3,(H2,26,27,30,34)