4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(6-hexyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(6-hexyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(6-hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(6-hexyl-7-hydroxy-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(6-hexyl-7-hydroxy-2-keto-chromen-3-yl)thiazol-2-yl]-4-keto-butyramide Formula: C31H33N3O5S MolecularWeight: 559.67582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC(=O)CCC(=O)N4CCC5=CC=CC=C5C4)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC(=O)CCC(=O)N4CCC5=CC=CC=C5C4)O

InChI

InChI=1S/C31H33N3O5S/c1-2-3-4-5-9-21-15-23-16-24(30(38)39-27(23)17-26(21)35)25-19-40-31(32-25)33-28(36)11-12-29(37)34-14-13-20-8-6-7-10-22(20)18-34/h6-8,10,15-17,19,35H,2-5,9,11-14,18H2,1H3,(H,32,33,36)