S-[2-(4-nitrophenyl)propan-2-yl] azepane-1-carbothioate

Systemtic Name: S-[2-(4-nitrophenyl)propan-2-yl] azepane-1-carbothioate Openeye Name: S-[1-methyl-1-(4-nitrophenyl)ethyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[2-(4-nitrophenyl)propan-2-yl] ester IUPAC Name: S-[2-(4-nitrophenyl)propan-2-yl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-[1-methyl-1-(4-nitrophenyl)ethyl] ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])SC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])SC(=O)N2CCCCCC2

InChI

InChI=1S/C16H22N2O3S/c1-16(2,13-7-9-14(10-8-13)18(20)21)22-15(19)17-11-5-3-4-6-12-17/h7-10H,3-6,11-12H2,1-2H3