ethyl 3-[(2,6-dimethylphenyl)carbamothioylamino]-2-(phenylcarbonyl)prop-2-enoate

Systemtic Name: ethyl 3-[(2,6-dimethylphenyl)carbamothioylamino]-2-(phenylcarbonyl)prop-2-enoate Openeye Name: ethyl 2-benzoyl-3-[(2,6-dimethylphenyl)carbamothioylamino]prop-2-enoate CAS Name: 2-benzoyl-3-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-benzoyl-3-[(2,6-dimethylphenyl)carbamothioylamino]prop-2-enoate Traditional Name: 2-benzoyl-3-[(2,6-dimethylphenyl)thiocarbamoylamino]acrylic acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=C(C=CC=C1C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(=CNC(=S)NC1=C(C=CC=C1C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O3S/c1-4-26-20(25)17(19(24)16-11-6-5-7-12-16)13-22-21(27)23-18-14(2)9-8-10-15(18)3/h5-13H,4H2,1-3H3,(H2,22,23,27)