N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2,6-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=C(C=CC=C3OC)OC)Cl

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC)Cl

InChI

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