[2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[[2-[(3-methylphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[2-(m-tolylcarbamoyl)anilino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[2-[(3-methylanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-[2-(m-tolylcarbamoyl)anilino]ethyl] ester Formula: C21H23N3O2S2 MolecularWeight: 413.55622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C21H23N3O2S2/c1-15-7-6-8-16(13-15)22-20(26)17-9-2-3-10-18(17)23-19(25)14-28-21(27)24-11-4-5-12-24/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,22,26)(H,23,25)