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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[3-chloro-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[3-chloro-4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C24H29ClN4O3S MolecularWeight: 489.03006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)C)Cl

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)C)Cl

InChI

InChI=1S/C24H29ClN4O3S/c1-15(2)23(31)29-12-10-28(11-13-29)20-9-8-17(14-19(20)25)26-24(33)27-22(30)18-7-5-6-16(3)21(18)32-4/h5-9,14-15H,10-13H2,1-4H3,(H2,26,27,30,33)