methyl 2-[bis(prop-2-enyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(prop-2-enyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(diallylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(prop-2-enyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[bis(prop-2-enyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(diallylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N(CC=C)CC=C)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N(CC=C)CC=C)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O2S2/c1-5-12-22(13-6-2)20(25)21-18-17(19(23)24-4)16(14(3)26-18)15-10-8-7-9-11-15/h5-11H,1-2,12-13H2,3-4H3,(H,21,25)