3-cyclohexyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-propanamide

Systemtic Name: 3-cyclohexyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-propanamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-cyclohexyl-propanamide CAS Name: 3-cyclohexyl-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-cyclohexylpropanamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-cyclohexyl-propionamide Formula: C21H31N3OS MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3OS/c25-20(12-11-18-7-3-1-4-8-18)22-21(26)24-15-13-23(14-16-24)17-19-9-5-2-6-10-19/h2,5-6,9-10,18H,1,3-4,7-8,11-17H2,(H,22,25,26)