[3-(cyclohexylmethylsulfanyl)-1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]carbamic acid

Systemtic Name: [3-(cyclohexylmethylsulfanyl)-1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]carbamic acid Openeye Name: [2-(4-benzhydrylpiperazin-1-yl)-1-(cyclohexylmethylsulfanylmethyl)-2-oxo-ethyl]carbamic acid CAS Name: [3-(cyclohexylmethylthio)-1-[4-(diphenylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]carbamic acid IUPAC Name: [1-(4-benzhydrylpiperazin-1-yl)-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]carbamic acid Traditional Name: [2-(4-benzhydrylpiperazino)-1-[(cyclohexylmethylthio)methyl]-2-keto-ethyl]carbamic acid Formula: C28H37N3O3S MolecularWeight: 495.67668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSCC(C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)O

Isomeric SMILES

C1CCC(CC1)CSCC(C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)O

InChI

InChI=1S/C28H37N3O3S/c32-27(25(29-28(33)34)21-35-20-22-10-4-1-5-11-22)31-18-16-30(17-19-31)26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h2-3,6-9,12-15,22,25-26,29H,1,4-5,10-11,16-21H2,(H,33,34)