[2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[[4-[(4-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-[4-[(4-methoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-keto-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]ethyl] ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25N3O3S2/c1-4-24(5-2)21(28)29-14-19(25)22-16-8-6-15(7-9-16)20(26)23-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14H2,1-3H3,(H,22,25)(H,23,26)