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

Systemtic Name: 1-oxidanylidene-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-6-isopropyl-1-oxo-isochromane-3-carboxamide CAS Name: 1-oxo-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-6-isopropyl-1-keto-isochroman-3-carboxamide Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S2/c1-13(2)15-8-9-17-16(10-15)11-18(28-20(17)27)19(26)23-21-24-25-22(30-21)29-12-14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3,(H,23,24,26)