methyl 2-[bis(prop-2-enyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(prop-2-enyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(diallylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[bis(prop-2-enyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[bis(prop-2-enyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(diallylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H22N2O2S2 MolecularWeight: 350.49878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N(CC=C)CC=C

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)N(CC=C)CC=C

InChI

InChI=1S/C17H22N2O2S2/c1-4-10-19(11-5-2)17(22)18-15-14(16(20)21-3)12-8-6-7-9-13(12)23-15/h4-5H,1-2,6-11H2,3H3,(H,18,22)