2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)-1-oxidanylidene-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)-1-oxidanylidene-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-isopentyl-1-oxo-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)-1-oxo-3-(3-thiophenyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-methylbutyl)-1-oxo-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-isoamyl-1-keto-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC4=C(C=C3)OCO4)C5=CSC=C5

Isomeric SMILES

CC(C)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC4=C(C=C3)OCO4)C5=CSC=C5

InChI

InChI=1S/C26H26N2O4S/c1-16(2)9-11-27-25(29)23-19-5-3-4-6-20(19)26(30)28(24(23)17-10-12-33-14-17)18-7-8-21-22(13-18)32-15-31-21/h3-8,10,12-14,16,23-24H,9,11,15H2,1-2H3,(H,27,29)