tert-butyl N-[1-[azanyl-(phenylmethyl)amino]-3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[azanyl-(phenylmethyl)amino]-3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[amino(benzyl)amino]-1-(cyclohexylmethylsulfanylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[amino-(phenylmethyl)amino]-3-(cyclohexylmethylthio)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[amino(benzyl)amino]-3-(cyclohexylmethylsulfanyl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[amino(benzyl)amino]-1-[(cyclohexylmethylthio)methyl]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)N(CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)N(CC2=CC=CC=C2)N

InChI

InChI=1S/C22H35N3O3S/c1-22(2,3)28-21(27)24-19(16-29-15-18-12-8-5-9-13-18)20(26)25(23)14-17-10-6-4-7-11-17/h4,6-7,10-11,18-19H,5,8-9,12-16,23H2,1-3H3,(H,24,27)