[2-[(4-ethylphenyl)carbonylcarbamothioylamino]pyridin-3-yl] 4-ethylbenzoate

Systemtic Name: [2-[(4-ethylphenyl)carbonylcarbamothioylamino]pyridin-3-yl] 4-ethylbenzoate Openeye Name: [2-[(4-ethylbenzoyl)carbamothioylamino]-3-pyridyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[[[[(4-ethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-pyridinyl] ester IUPAC Name: [2-[(4-ethylbenzoyl)carbamothioylamino]pyridin-3-yl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[(4-ethylbenzoyl)thiocarbamoylamino]-3-pyridyl] ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC=N2)OC(=O)C3=CC=C(C=C3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=CC=N2)OC(=O)C3=CC=C(C=C3)CC

InChI

InChI=1S/C24H23N3O3S/c1-3-16-7-11-18(12-8-16)22(28)27-24(31)26-21-20(6-5-15-25-21)30-23(29)19-13-9-17(4-2)10-14-19/h5-15H,3-4H2,1-2H3,(H2,25,26,27,28,31)