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

Systemtic Name: N-[[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]ethanamide Openeye Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide CAS Name: N-[[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide Traditional Name: N-[[3-chloro-2-(4-p-toluoylpiperazino)phenyl]thiocarbamoyl]acetamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=S)NC(=O)C

InChI

InChI=1S/C21H23ClN4O2S/c1-14-6-8-16(9-7-14)20(28)26-12-10-25(11-13-26)19-17(22)4-3-5-18(19)24-21(29)23-15(2)27/h3-9H,10-13H2,1-2H3,(H2,23,24,27,29)