[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H26N2OS3 MolecularWeight: 418.63894

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)SC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)SC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H26N2OS3/c1-5-23(6-2)21(25)26-14-20(24)22-17-9-11-18(12-10-17)27-19-13-15(3)7-8-16(19)4/h7-13H,5-6,14H2,1-4H3,(H,22,24)