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

Systemtic Name: S-(phenylmethyl) N-[1-(1-azanyl-1-oxidanylidene-propan-2-yl)-4-methyl-2-oxidanylidene-azepan-3-yl]carbamothioate Openeye Name: S-benzyl N-[1-(2-amino-1-methyl-2-oxo-ethyl)-4-methyl-2-oxo-azepan-3-yl]carbamothioate CAS Name: N-[1-(1-amino-1-oxopropan-2-yl)-4-methyl-2-oxo-3-azepanyl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[1-(1-amino-1-oxopropan-2-yl)-4-methyl-2-oxoazepan-3-yl]carbamothioate Traditional Name: N-[1-(2-amino-2-keto-1-methyl-ethyl)-2-keto-4-methyl-azepan-3-yl]thiocarbamic acid S-benzyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C(=O)C1NC(=O)SCC2=CC=CC=C2)C(C)C(=O)N

Isomeric SMILES

CC1CCCN(C(=O)C1NC(=O)SCC2=CC=CC=C2)C(C)C(=O)N

InChI

InChI=1S/C18H25N3O3S/c1-12-7-6-10-21(13(2)16(19)22)17(23)15(12)20-18(24)25-11-14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3,(H2,19,22)(H,20,24)