[3-azanyl-4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-[(2-methylphenyl)amino]thiophen-2-yl]-phenyl-methanone

Systemtic Name: [3-azanyl-4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-5-[(2-methylphenyl)amino]thiophen-2-yl]-phenyl-methanone Openeye Name: [3-amino-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylanilino)-2-thienyl]-phenyl-methanone CAS Name: [3-amino-4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-5-(2-methylanilino)-2-thiophenyl]-phenylmethanone IUPAC Name: [3-amino-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(2-methylanilino)thiophen-2-yl]-phenylmethanone Traditional Name: [3-amino-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-(o-toluidino)-2-thienyl]-phenyl-methanone Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=C(S2)C(=O)C3=CC=CC=C3)N)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=C(S2)C(=O)C3=CC=CC=C3)N)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C28H25N3O2S/c1-18-9-5-8-14-22(18)30-27-23(24(29)26(34-27)25(32)20-11-3-2-4-12-20)28(33)31-16-15-19-10-6-7-13-21(19)17-31/h2-14,30H,15-17,29H2,1H3