7-(3-methoxypropanoylamino)-N-(2-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 7-(3-methoxypropanoylamino)-N-(2-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 7-(3-methoxypropanoylamino)-N-(2-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 7-[(3-methoxy-1-oxopropyl)amino]-N-[2-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 7-(3-methoxypropanoylamino)-N-(2-methylsulfanylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 7-(3-methoxypropanoylamino)-N-[2-(methylthio)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)NC3=CC=CC=C3SC)C=C1

Isomeric SMILES

COCCC(=O)NC1=CC2=C(CCN(C2)C(=O)NC3=CC=CC=C3SC)C=C1

InChI

InChI=1S/C21H25N3O3S/c1-27-12-10-20(25)22-17-8-7-15-9-11-24(14-16(15)13-17)21(26)23-18-5-3-4-6-19(18)28-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)(H,23,26)