methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20N2O2S2 MolecularWeight: 408.5364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H20N2O2S2/c1-26-21(25)18-13-19(16-8-3-2-4-9-16)28-20(18)23-22(27)24-12-11-15-7-5-6-10-17(15)14-24/h2-10,13H,11-12,14H2,1H3,(H,23,27)