N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(2,5-dimethyl-3-thienyl)-4-oxo-butanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(2,5-dimethyl-3-thienyl)-4-keto-butyramide Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCC(=O)C1=C(SC(=C1)C)C)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCC(CNC(=O)CCC(=O)C1=C(SC(=C1)C)C)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H30N2O2S/c1-4-20(25-12-11-18-7-5-6-8-19(18)15-25)14-24-23(27)10-9-22(26)21-13-16(2)28-17(21)3/h5-8,13,20H,4,9-12,14-15H2,1-3H3,(H,24,27)