[2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-oxo-2-[2-(p-tolylmethylcarbamoyl)anilino]ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[2-[[(4-methylphenyl)methylamino]-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-[2-[(4-methylbenzyl)carbamoyl]anilino]ethyl] ester Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27N3O2S2/c1-4-25(5-2)22(28)29-15-20(26)24-19-9-7-6-8-18(19)21(27)23-14-17-12-10-16(3)11-13-17/h6-13H,4-5,14-15H2,1-3H3,(H,23,27)(H,24,26)