S-[3-(azepan-1-ylamino)-2-methyl-3-oxidanylidene-propyl] ethanethioate; benzene

Systemtic Name: S-[3-(azepan-1-ylamino)-2-methyl-3-oxidanylidene-propyl] ethanethioate; benzene Openeye Name: S-[3-(azepan-1-ylamino)-2-methyl-3-oxo-propyl] ethanethioate; benzene CAS Name: benzene; ethanethioic acid S-[3-(1-azepanylamino)-2-methyl-3-oxopropyl] ester IUPAC Name: S-[3-(azepan-1-ylamino)-2-methyl-3-oxopropyl] ethanethioate; benzene Traditional Name: benzene; ethanethioic acid S-[3-(azepan-1-ylamino)-3-keto-2-methyl-propyl] ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)NN1CCCCCC1.C1=CC=CC=C1

Isomeric SMILES

CC(CSC(=O)C)C(=O)NN1CCCCCC1.C1=CC=CC=C1

InChI

InChI=1S/C12H22N2O2S.C6H6/c1-10(9-17-11(2)15)12(16)13-14-7-5-3-4-6-8-14;1-2-4-6-5-3-1/h10H,3-9H2,1-2H3,(H,13,16);1-6H