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

Systemtic Name: 2,2-dimethyl-N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]propionamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O2S/c1-17-7-5-6-8-20(17)21(29)28-15-13-27(14-16-28)19-11-9-18(10-12-19)25-23(31)26-22(30)24(2,3)4/h5-12H,13-16H2,1-4H3,(H2,25,26,30,31)