[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

InChI

InChI=1S/C21H21N3O4S/c1-2-3-12-23-21(27)24-19(25)14-28-20(26)16-9-5-7-11-18(16)29-17-10-6-4-8-15(17)13-22/h4-11H,2-3,12,14H2,1H3,(H2,23,24,25,27)