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

Systemtic Name: N-[[3-chloranyl-4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]butanamide Openeye Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide CAS Name: N-[[3-chloro-4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]butanamide Traditional Name: N-[[3-chloro-4-(4-o-toluoylpiperazino)phenyl]thiocarbamoyl]butyramide Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C)Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C)Cl

InChI

InChI=1S/C23H27ClN4O2S/c1-3-6-21(29)26-23(31)25-17-9-10-20(19(24)15-17)27-11-13-28(14-12-27)22(30)18-8-5-4-7-16(18)2/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H2,25,26,29,31)