N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: 2-isobutyl-N-[(3-methoxyphenyl)methyl]-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: 2-isobutyl-1-keto-N-m-anisyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC(=CC=C3)OC)C4=CC=CS4

Isomeric SMILES

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC(=CC=C3)OC)C4=CC=CS4

InChI

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