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

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C18H20N2O2S2/c1-11-12(2)24-16(15(11)17(21)22-3)19-18(23)20-9-8-13-6-4-5-7-14(13)10-20/h4-7H,8-10H2,1-3H3,(H,19,23)