N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]ethanamide

Systemtic Name: N-[[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide CAS Name: N-[[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide Traditional Name: N-[[4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-15-5-3-4-6-19(15)20(27)25-13-11-24(12-14-25)18-9-7-17(8-10-18)23-21(28)22-16(2)26/h3-10H,11-14H2,1-2H3,(H2,22,23,26,28)