[2-[(2,4-dimethylphenyl)carbonylcarbamothioylamino]pyridin-3-yl] 2,4-dimethylbenzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbonylcarbamothioylamino]pyridin-3-yl] 2,4-dimethylbenzoate Openeye Name: [2-[(2,4-dimethylbenzoyl)carbamothioylamino]-3-pyridyl] 2,4-dimethylbenzoate CAS Name: 2,4-dimethylbenzoic acid [2-[[[[(2,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-pyridinyl] ester IUPAC Name: [2-[(2,4-dimethylbenzoyl)carbamothioylamino]pyridin-3-yl] 2,4-dimethylbenzoate Traditional Name: 2,4-dimethylbenzoic acid [2-[(2,4-dimethylbenzoyl)thiocarbamoylamino]-3-pyridyl] ester Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=CC=N2)OC(=O)C3=C(C=C(C=C3)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=C(C=CC=N2)OC(=O)C3=C(C=C(C=C3)C)C)C

InChI

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