[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C19H29N3O4S3 MolecularWeight: 459.64626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C19H29N3O4S3/c1-4-21(5-2)19(27)28-14-18(23)20-15-9-10-16(26-3)17(13-15)29(24,25)22-11-7-6-8-12-22/h9-10,13H,4-8,11-12,14H2,1-3H3,(H,20,23)