N-[3-[ethyl-(3-methylphenyl)amino]propyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[3-[ethyl-(3-methylphenyl)amino]propyl]-2-methyl-1-oxidanylidene-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-2-methyl-1-oxo-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[3-(N-ethyl-3-methylanilino)propyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[3-(N-ethyl-3-methylanilino)propyl]-2-methyl-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[3-(N-ethyl-3-methyl-anilino)propyl]-1-keto-2-methyl-3-(2-thienyl)-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC=CS3)C4=CC=CC(=C4)C

Isomeric SMILES

CCN(CCCNC(=O)C1C(N(C(=O)C2=CC=CC=C12)C)C3=CC=CS3)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H31N3O2S/c1-4-30(20-11-7-10-19(2)18-20)16-9-15-28-26(31)24-21-12-5-6-13-22(21)27(32)29(3)25(24)23-14-8-17-33-23/h5-8,10-14,17-18,24-25H,4,9,15-16H2,1-3H3,(H,28,31)