S-[4-(2-azanyl-1-phenyl-2-sulfanylidene-ethyl)-1-methyl-piperidin-4-yl] ethanethioate

Systemtic Name: S-[4-(2-azanyl-1-phenyl-2-sulfanylidene-ethyl)-1-methyl-piperidin-4-yl] ethanethioate Openeye Name: S-[4-(2-amino-1-phenyl-2-thioxo-ethyl)-1-methyl-4-piperidyl] ethanethioate CAS Name: ethanethioic acid S-[4-(2-amino-1-phenyl-2-sulfanylideneethyl)-1-methyl-4-piperidinyl] ester IUPAC Name: S-[4-(2-amino-1-phenyl-2-sulfanylideneethyl)-1-methylpiperidin-4-yl] ethanethioate Traditional Name: ethanethioic acid S-[4-(2-amino-1-phenyl-2-thioxo-ethyl)-1-methyl-4-piperidyl] ester Formula: C16H22N2OS2 MolecularWeight: 322.48868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1(CCN(CC1)C)C(C2=CC=CC=C2)C(=S)N

Isomeric SMILES

CC(=O)SC1(CCN(CC1)C)C(C2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C16H22N2OS2/c1-12(19)21-16(8-10-18(2)11-9-16)14(15(17)20)13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3,(H2,17,20)