ethyl (Z)-2-cyano-3-[[2-[(2,5-dimethylphenyl)carbamothioylamino]phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[[2-[(2,5-dimethylphenyl)carbamothioylamino]phenyl]amino]prop-2-enoate Openeye Name: ethyl (Z)-2-cyano-3-[2-[(2,5-dimethylphenyl)carbamothioylamino]anilino]prop-2-enoate CAS Name: (Z)-2-cyano-3-[2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[2-[(2,5-dimethylphenyl)carbamothioylamino]anilino]prop-2-enoate Traditional Name: (Z)-2-cyano-3-[2-[(2,5-dimethylphenyl)thiocarbamoylamino]anilino]acrylic acid ethyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-4-27-20(26)16(12-22)13-23-17-7-5-6-8-18(17)24-21(28)25-19-11-14(2)9-10-15(19)3/h5-11,13,23H,4H2,1-3H3,(H2,24,25,28)/b16-13-