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

Systemtic Name: ethyl 2-cyano-3-[[2-[(4-methoxyphenyl)carbamothioylamino]phenyl]amino]prop-2-enoate Openeye Name: ethyl 2-cyano-3-[2-[(4-methoxyphenyl)carbamothioylamino]anilino]prop-2-enoate CAS Name: 2-cyano-3-[2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[2-[(4-methoxyphenyl)carbamothioylamino]anilino]prop-2-enoate Traditional Name: 2-cyano-3-[2-[(4-methoxyphenyl)thiocarbamoylamino]anilino]acrylic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-3-27-19(25)14(12-21)13-22-17-6-4-5-7-18(17)24-20(28)23-15-8-10-16(26-2)11-9-15/h4-11,13,22H,3H2,1-2H3,(H2,23,24,28)