5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N4OS/c1-2-15-7-9-18(10-8-15)22-20(26)21-24-23-19(27-21)14-25-12-11-16-5-3-4-6-17(16)13-25/h3-10H,2,11-14H2,1H3,(H,22,26)