tert-butyl N-[(2S)-1-[(4-aminocarbonylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(4-aminocarbonylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-carbamoylphenyl)carbamoyl]-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S)-1-(4-carbamoylanilino)-4-(methylthio)-1-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(4-carbamoylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(4-carbamoylphenyl)carbamoyl]-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)NC1=CC=C(C=C1)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)NC1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C17H25N3O4S/c1-17(2,3)24-16(23)20-13(9-10-25-4)15(22)19-12-7-5-11(6-8-12)14(18)21/h5-8,13H,9-10H2,1-4H3,(H2,18,21)(H,19,22)(H,20,23)/t13-/m0/s1