ethyl 3-[(2-tert-butyl-6-ethyl-phenyl)carbamothioylamino]-2-(phenylcarbonyl)prop-2-enoate

Systemtic Name: ethyl 3-[(2-tert-butyl-6-ethyl-phenyl)carbamothioylamino]-2-(phenylcarbonyl)prop-2-enoate Openeye Name: ethyl 2-benzoyl-3-[(2-tert-butyl-6-ethyl-phenyl)carbamothioylamino]prop-2-enoate CAS Name: 2-benzoyl-3-[[(2-tert-butyl-6-ethylanilino)-sulfanylidenemethyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-benzoyl-3-[(2-tert-butyl-6-ethylphenyl)carbamothioylamino]prop-2-enoate Traditional Name: 2-benzoyl-3-[(2-tert-butyl-6-ethyl-phenyl)thiocarbamoylamino]acrylic acid ethyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)(C)C)NC(=S)NC=C(C(=O)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)(C)C)NC(=S)NC=C(C(=O)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C25H30N2O3S/c1-6-17-14-11-15-20(25(3,4)5)21(17)27-24(31)26-16-19(23(29)30-7-2)22(28)18-12-9-8-10-13-18/h8-16H,6-7H2,1-5H3,(H2,26,27,31)