methyl 6-[bis(prop-2-enyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[bis(prop-2-enyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(diallylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 6-[[[bis(prop-2-enyl)amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[bis(prop-2-enyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(diallylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C17H17ClN2O2S2 MolecularWeight: 380.91208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N(CC=C)CC=C)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)N(CC=C)CC=C)Cl

InChI

InChI=1S/C17H17ClN2O2S2/c1-4-8-20(9-5-2)17(23)19-11-6-7-12-13(10-11)24-15(14(12)18)16(21)22-3/h4-7,10H,1-2,8-9H2,3H3,(H,19,23)