(phenylmethyl) N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: benzyl N-[2-[(2-amino-2-oxo-ethyl)amino]-1-(benzylsulfanylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(2-amino-2-oxoethyl)amino]-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[(2-amino-2-keto-ethyl)amino]-1-[(benzylthio)methyl]-2-keto-ethyl]carbamic acid benzyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC(=O)N

InChI

InChI=1S/C20H23N3O4S/c21-18(24)11-22-19(25)17(14-28-13-16-9-5-2-6-10-16)23-20(26)27-12-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H2,21,24)(H,22,25)(H,23,26)