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

Systemtic Name: S-(phenylmethyl) N-[1-(1-azanyl-1-oxidanylidene-propan-2-yl)-2-oxidanylidene-azepan-3-yl]carbamothioate Openeye Name: S-benzyl N-[1-(2-amino-1-methyl-2-oxo-ethyl)-2-oxo-azepan-3-yl]carbamothioate CAS Name: N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-azepanyl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[1-(1-amino-1-oxopropan-2-yl)-2-oxoazepan-3-yl]carbamothioate Traditional Name: N-[1-(2-amino-2-keto-1-methyl-ethyl)-2-keto-azepan-3-yl]thiocarbamic acid S-benzyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1CCCCC(C1=O)NC(=O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N)N1CCCCC(C1=O)NC(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3S/c1-12(15(18)21)20-10-6-5-9-14(16(20)22)19-17(23)24-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H2,18,21)(H,19,23)