methyl 2-[bis(prop-2-enyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(prop-2-enyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(diallylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[bis(prop-2-enyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[bis(prop-2-enyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(diallylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S2/c1-4-11-22(12-5-2)20(25)21-18-17(19(23)24-3)14-16(26-18)13-15-9-7-6-8-10-15/h4-10,14H,1-2,11-13H2,3H3,(H,21,25)