ethyl 5-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCC=C

InChI

InChI=1S/C17H18N2O2S2/c1-3-10-18-17(22)19-15-13(16(20)21-4-2)11-14(23-15)12-8-6-5-7-9-12/h3,5-9,11H,1,4,10H2,2H3,(H2,18,19,22)