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

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC

InChI

InChI=1S/C17H18N2O2S2/c1-11-9-14(16(20)21-2)15(23-11)18-17(22)19-8-7-12-5-3-4-6-13(12)10-19/h3-6,9H,7-8,10H2,1-2H3,(H,18,22)