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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(3-methoxypropylamino)-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CS2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H27N3O3S/c1-31-14-5-12-26-24(29)21-16-20(27-25(30)23-8-4-15-32-23)9-10-22(21)28-13-11-18-6-2-3-7-19(18)17-28/h2-4,6-10,15-16H,5,11-14,17H2,1H3,(H,26,29)(H,27,30)