N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C24H29ClN4O2S MolecularWeight: 473.03066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C(C)(C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C(C)(C)C)Cl

InChI

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