methyl 5-(phenylmethyl)-2-(prop-2-enylcarbamothioylamino)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC=C

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC=C

InChI

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