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

Systemtic Name: methyl 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3,4-dihydro-1H-isoquinolin-2-yl(sulfanylidene)methyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCC3=CC=CC=C3C2)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S2/c1-15-19(17-9-4-3-5-10-17)20(22(26)27-2)21(29-15)24-23(28)25-13-12-16-8-6-7-11-18(16)14-25/h3-11H,12-14H2,1-2H3,(H,24,28)