N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]thiophene-2-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]thiophene-2-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(phenethylamino)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]thiophene-2-carboxamide Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC=CS4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O2S/c33-28(30-16-14-21-7-2-1-3-8-21)25-19-24(31-29(34)27-11-6-18-35-27)12-13-26(25)32-17-15-22-9-4-5-10-23(22)20-32/h1-13,18-19H,14-17,20H2,(H,30,33)(H,31,34)