4-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]thiadiazole-5-carboxamide CAS Name: 4-methyl-N-[2-(2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-thiadiazolecarboxamide IUPAC Name: 4-methyl-N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]thiadiazole-5-carboxamide Traditional Name: N-(2-isobutyryl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methyl-thiadiazole-5-carboxamide Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C(C)C)C=C2

InChI

InChI=1S/C17H20N4O2S/c1-10(2)17(23)21-7-6-12-4-5-14(8-13(12)9-21)18-16(22)15-11(3)19-20-24-15/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)