S-(phenylmethyl) N-[1-(1-azanyl-1-oxidanylidene-propan-2-yl)-4,4-dimethyl-2-oxidanylidene-azepan-3-yl]carbamothioate

Systemtic Name: S-(phenylmethyl) N-[1-(1-azanyl-1-oxidanylidene-propan-2-yl)-4,4-dimethyl-2-oxidanylidene-azepan-3-yl]carbamothioate Openeye Name: S-benzyl N-[1-(2-amino-1-methyl-2-oxo-ethyl)-4,4-dimethyl-2-oxo-azepan-3-yl]carbamothioate CAS Name: N-[1-(1-amino-1-oxopropan-2-yl)-4,4-dimethyl-2-oxo-3-azepanyl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[1-(1-amino-1-oxopropan-2-yl)-4,4-dimethyl-2-oxoazepan-3-yl]carbamothioate Traditional Name: N-[1-(2-amino-2-keto-1-methyl-ethyl)-2-keto-4,4-dimethyl-azepan-3-yl]thiocarbamic acid S-benzyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1CCCC(C(C1=O)NC(=O)SCC2=CC=CC=C2)(C)C

Isomeric SMILES

CC(C(=O)N)N1CCCC(C(C1=O)NC(=O)SCC2=CC=CC=C2)(C)C

InChI

InChI=1S/C19H27N3O3S/c1-13(16(20)23)22-11-7-10-19(2,3)15(17(22)24)21-18(25)26-12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H2,20,23)(H,21,25)