O-ethyl [2-[cyclohepten-1-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate

Systemtic Name: O-ethyl [2-[cyclohepten-1-ylmethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]sulfanylmethanethioate Openeye Name: O-ethyl [2-[benzyl(cyclohepten-1-ylmethyl)amino]-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[2-[1-cycloheptenylmethyl-(phenylmethyl)amino]-2-oxoethyl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [2-[benzyl(cyclohepten-1-ylmethyl)amino]-2-oxoethyl]sulfanylmethanethioate Traditional Name: [[2-[benzyl(cyclohepten-1-ylmethyl)amino]-2-keto-ethyl]thio]methanethioic acid O-ethyl ester Formula: C20H27NO2S2 MolecularWeight: 377.56388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC(=O)N(CC1=CCCCCC1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=S)SCC(=O)N(CC1=CCCCCC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H27NO2S2/c1-2-23-20(24)25-16-19(22)21(15-18-12-8-5-9-13-18)14-17-10-6-3-4-7-11-17/h5,8-10,12-13H,2-4,6-7,11,14-16H2,1H3