[butylcarbamoyl-[4-[ethyl(2-oxidanylidenebut-3-enyl)amino]-2-methyl-phenyl]amino] pyrrolidine-1-carbodithioate

Systemtic Name: [butylcarbamoyl-[4-[ethyl(2-oxidanylidenebut-3-enyl)amino]-2-methyl-phenyl]amino] pyrrolidine-1-carbodithioate Openeye Name: [N-(butylcarbamoyl)-4-[ethyl(2-oxobut-3-enyl)amino]-2-methyl-anilino] pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid [N-[butylamino(oxo)methyl]-4-[ethyl(2-oxobut-3-enyl)amino]-2-methylanilino] ester IUPAC Name: [N-(butylcarbamoyl)-4-[ethyl(2-oxobut-3-enyl)amino]-2-methylanilino] pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid [N-(butylcarbamoyl)-4-[ethyl(2-ketobut-3-enyl)amino]-2-methyl-anilino] ester Formula: C23H34N4O2S2 MolecularWeight: 462.67166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C1=C(C=C(C=C1)N(CC)CC(=O)C=C)C)SC(=S)N2CCCC2

Isomeric SMILES

CCCCNC(=O)N(C1=C(C=C(C=C1)N(CC)CC(=O)C=C)C)SC(=S)N2CCCC2

InChI

InChI=1S/C23H34N4O2S2/c1-5-8-13-24-22(29)27(31-23(30)26-14-9-10-15-26)21-12-11-19(16-18(21)4)25(7-3)17-20(28)6-2/h6,11-12,16H,2,5,7-10,13-15,17H2,1,3-4H3,(H,24,29)