N-(3-cyanophenyl)-2-(2-methylpropyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-(3-cyanophenyl)-2-(2-methylpropyl)-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-(3-cyanophenyl)-2-isobutyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-(3-cyanophenyl)-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-(3-cyanophenyl)-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-(3-cyanophenyl)-2-isobutyl-1-keto-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=CC(=C3)C#N)C4=CC=CS4

Isomeric SMILES

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)NC3=CC=CC(=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C25H23N3O2S/c1-16(2)15-28-23(21-11-6-12-31-21)22(19-9-3-4-10-20(19)25(28)30)24(29)27-18-8-5-7-17(13-18)14-26/h3-13,16,22-23H,15H2,1-2H3,(H,27,29)