N-[3-acetamido-5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]ethanamide

Systemtic Name: N-[3-acetamido-5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]phenyl]ethanamide Openeye Name: N-[3-acetamido-5-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]acetamide CAS Name: N-[3-acetamido-5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-5-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]acetamide Traditional Name: N-[3-acetamido-5-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]acetamide Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)NC(=O)C

InChI

InChI=1S/C26H27N3O5S/c1-15(30)27-19-10-18(11-20(13-19)28-16(2)31)26(32)29-8-7-17-12-22(33-3)23(34-4)14-21(17)25(29)24-6-5-9-35-24/h5-6,9-14,25H,7-8H2,1-4H3,(H,27,30)(H,28,31)