[2-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate

Systemtic Name: [2-[[4-[(4-ethoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate Openeye Name: [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [2-[4-[(4-ethoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [2-keto-2-[4-(p-phenetylcarbamoyl)anilino]ethyl] ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C22H25N3O3S2/c1-2-28-19-11-9-18(10-12-19)24-21(27)16-5-7-17(8-6-16)23-20(26)15-30-22(29)25-13-3-4-14-25/h5-12H,2-4,13-15H2,1H3,(H,23,26)(H,24,27)