S-(phenylmethyl) N-[1-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamothioate

Systemtic Name: S-(phenylmethyl) N-[1-[(1-azanyl-1-oxidanylidene-propan-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamothioate Openeye Name: S-benzyl N-[1-[(2-amino-1-methyl-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamothioate CAS Name: N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamothioate Traditional Name: N-[1-[(2-amino-2-keto-1-methyl-ethyl)carbamoyl]-2-methyl-propyl]thiocarbamic acid S-benzyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C(=O)N)NC(=O)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)NC(C)C(=O)N)NC(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C16H23N3O3S/c1-10(2)13(15(21)18-11(3)14(17)20)19-16(22)23-9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H2,17,20)(H,18,21)(H,19,22)