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

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C20H31N3O3S3 MolecularWeight: 457.67344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H31N3O3S3/c1-4-22(5-2)20(27)28-15-19(24)21-17-11-10-16(3)18(14-17)29(25,26)23-12-8-6-7-9-13-23/h10-11,14H,4-9,12-13,15H2,1-3H3,(H,21,24)