[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-keto-ethyl] ester Formula: C22H26N4OS2 MolecularWeight: 426.59804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C2=C(N1C3=CC=CC=C3)CCCC2)C#N

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C2=C(N1C3=CC=CC=C3)CCCC2)C#N

InChI

InChI=1S/C22H26N4OS2/c1-3-25(4-2)22(28)29-15-20(27)24-21-18(14-23)17-12-8-9-13-19(17)26(21)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-13,15H2,1-2H3,(H,24,27)