S-[2-[2-piperidin-1-ylethyl-[3-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)propylsulfonyl]amino]propyl] ethanethioate

Systemtic Name: S-[2-[2-piperidin-1-ylethyl-[3-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)propylsulfonyl]amino]propyl] ethanethioate Openeye Name: S-[2-[2-(1-piperidyl)ethyl-[3-(3-thioxocyclohexa-1,5-dien-1-yl)propylsulfonyl]amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(1-piperidinyl)ethyl-[3-(3-sulfanylidene-1-cyclohexa-1,5-dienyl)propylsulfonyl]amino]propyl] ester IUPAC Name: S-[2-[2-piperidin-1-ylethyl-[3-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)propylsulfonyl]amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-piperidinoethyl-[3-(3-thioxocyclohexa-1,5-dien-1-yl)propylsulfonyl]amino]propyl] ester Formula: C21H34N2O3S3 MolecularWeight: 458.70126

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)N(CCN1CCCCC1)S(=O)(=O)CCCC2=CC(=S)CC=C2

Isomeric SMILES

CC(CSC(=O)C)N(CCN1CCCCC1)S(=O)(=O)CCCC2=CC(=S)CC=C2

InChI

InChI=1S/C21H34N2O3S3/c1-18(17-28-19(2)24)23(14-13-22-11-4-3-5-12-22)29(25,26)15-7-9-20-8-6-10-21(27)16-20/h6,8,16,18H,3-5,7,9-15,17H2,1-2H3