3-cyclohexyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]propanamide

Systemtic Name: 3-cyclohexyl-N-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioyl]propanamide Openeye Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-cyclohexyl-propanamide CAS Name: 3-cyclohexyl-N-[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioyl]-3-cyclohexylpropanamide Traditional Name: N-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoyl]-3-cyclohexyl-propionamide Formula: C34H40N4O2S MolecularWeight: 568.772

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H40N4O2S/c39-31(21-20-26-12-4-1-5-13-26)36-34(41)35-30-19-11-10-18-29(30)33(40)38-24-22-37(23-25-38)32(27-14-6-2-7-15-27)28-16-8-3-9-17-28/h2-3,6-11,14-19,26,32H,1,4-5,12-13,20-25H2,(H2,35,36,39,41)