[3-(tert-butylsulfanylmethyl)-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid

Systemtic Name: [3-(tert-butylsulfanylmethyl)-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid Openeye Name: [4-(benzyloxycarbonylamino)-3-(tert-butylsulfanylmethyl)cyclohexyl]carbamic acid CAS Name: [3-[(tert-butylthio)methyl]-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid IUPAC Name: [3-(tert-butylsulfanylmethyl)-4-(phenylmethoxycarbonylamino)cyclohexyl]carbamic acid Traditional Name: [4-(benzyloxycarbonylamino)-3-[(tert-butylthio)methyl]cyclohexyl]carbamic acid Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1CC(CCC1NC(=O)OCC2=CC=CC=C2)NC(=O)O

Isomeric SMILES

CC(C)(C)SCC1CC(CCC1NC(=O)OCC2=CC=CC=C2)NC(=O)O

InChI

InChI=1S/C20H30N2O4S/c1-20(2,3)27-13-15-11-16(21-18(23)24)9-10-17(15)22-19(25)26-12-14-7-5-4-6-8-14/h4-8,15-17,21H,9-13H2,1-3H3,(H,22,25)(H,23,24)