ethyl (Z)-2-cyano-3-[[2-[(4-ethanoylphenyl)carbamothioylamino]phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[[2-[(4-ethanoylphenyl)carbamothioylamino]phenyl]amino]prop-2-enoate Openeye Name: ethyl (Z)-3-[2-[(4-acetylphenyl)carbamothioylamino]anilino]-2-cyano-prop-2-enoate CAS Name: (Z)-3-[2-[[(4-acetylanilino)-sulfanylidenemethyl]amino]anilino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[2-[(4-acetylphenyl)carbamothioylamino]anilino]-2-cyanoprop-2-enoate Traditional Name: (Z)-3-[2-[(4-acetylphenyl)thiocarbamoylamino]anilino]-2-cyano-acrylic acid ethyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C\NC1=CC=CC=C1NC(=S)NC2=CC=C(C=C2)C(=O)C)/C#N

InChI

InChI=1S/C21H20N4O3S/c1-3-28-20(27)16(12-22)13-23-18-6-4-5-7-19(18)25-21(29)24-17-10-8-15(9-11-17)14(2)26/h4-11,13,23H,3H2,1-2H3,(H2,24,25,29)/b16-13-