4-[[(2S)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(2S)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: 4-[[(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(2S)-2-(dimethylamino)-2-(2-thienyl)ethyl]iminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)OC)C4=CC=CS4

Isomeric SMILES

CN(C)[C@@H](CN=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC(=CC=C3)OC)C4=CC=CS4

InChI

InChI=1S/C25H25N3O3S/c1-27(2)22(23-12-7-13-32-23)16-26-15-21-19-10-4-5-11-20(19)24(29)28(25(21)30)17-8-6-9-18(14-17)31-3/h4-15,21-22H,16H2,1-3H3/t21?,22-/m0/s1