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

Systemtic Name: 2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxidanylidene-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-isopentyl-2-(4-methoxyphenyl)-1-oxo-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxo-3-(3-thiophenyl)-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-(3-methylbutyl)-1-oxo-3-thiophen-3-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-isoamyl-1-keto-2-(4-methoxyphenyl)-3-(3-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)OC)C4=CSC=C4

Isomeric SMILES

CC(C)CCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)OC)C4=CSC=C4

InChI

InChI=1S/C26H28N2O3S/c1-17(2)12-14-27-25(29)23-21-6-4-5-7-22(21)26(30)28(24(23)18-13-15-32-16-18)19-8-10-20(31-3)11-9-19/h4-11,13,15-17,23-24H,12,14H2,1-3H3,(H,27,29)