ethyl (E)-3-[(4-ethoxyphenyl)carbamothioylamino]-2-(phenylcarbonyl)prop-2-enoate

Systemtic Name: ethyl (E)-3-[(4-ethoxyphenyl)carbamothioylamino]-2-(phenylcarbonyl)prop-2-enoate Openeye Name: ethyl (E)-2-benzoyl-3-[(4-ethoxyphenyl)carbamothioylamino]prop-2-enoate CAS Name: (E)-2-benzoyl-3-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-benzoyl-3-[(4-ethoxyphenyl)carbamothioylamino]prop-2-enoate Traditional Name: (E)-2-benzoyl-3-(p-phenetylthiocarbamoylamino)acrylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC=C(C(=O)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N/C=C(\C(=O)C2=CC=CC=C2)/C(=O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-3-26-17-12-10-16(11-13-17)23-21(28)22-14-18(20(25)27-4-2)19(24)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3,(H2,22,23,28)/b18-14+