5-[[(3S)-3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[[(3S)-3-aminocarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[(3S)-3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CN3CC4=CC=CC=C4C[C@H]3C(=O)N

InChI

InChI=1S/C22H23N5O2S/c1-2-14-7-9-17(10-8-14)24-21(29)22-26-25-19(30-22)13-27-12-16-6-4-3-5-15(16)11-18(27)20(23)28/h3-10,18H,2,11-13H2,1H3,(H2,23,28)(H,24,29)/t18-/m0/s1