3-(4-methylphenyl)-1-oxidanylidene-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-6-carboxamide

Systemtic Name: 3-(4-methylphenyl)-1-oxidanylidene-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-6-carboxamide Openeye Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1-oxo-3-(p-tolyl)isochromane-6-carboxamide CAS Name: 3-(4-methylphenyl)-1-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-2-benzopyran-6-carboxamide IUPAC Name: 3-(4-methylphenyl)-1-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-6-carboxamide Traditional Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1-keto-3-(p-tolyl)isochroman-6-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)C(=O)NC4=NN=C(S4)C(C)C)C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)C(=O)NC4=NN=C(S4)C(C)C)C(=O)O2

InChI

InChI=1S/C22H21N3O3S/c1-12(2)20-24-25-22(29-20)23-19(26)15-8-9-17-16(10-15)11-18(28-21(17)27)14-6-4-13(3)5-7-14/h4-10,12,18H,11H2,1-3H3,(H,23,25,26)