tert-butyl N-[1-[(2-aminophenyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(2-aminophenyl)amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(2-aminoanilino)-1-(benzylsulfanylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-(2-aminoanilino)-1-oxo-3-(phenylmethylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-aminoanilino)-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-(2-aminoanilino)-1-[(benzylthio)methyl]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC2=CC=CC=C2N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC2=CC=CC=C2N

InChI

InChI=1S/C21H27N3O3S/c1-21(2,3)27-20(26)24-18(14-28-13-15-9-5-4-6-10-15)19(25)23-17-12-8-7-11-16(17)22/h4-12,18H,13-14,22H2,1-3H3,(H,23,25)(H,24,26)