N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methoxyphenyl)-3,8-dimethyl-cinchoninamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OC)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=C(C=C3)OC)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C28H27N3O3S/c1-15-7-6-9-20-22(16(2)25(30-24(15)20)17-11-13-18(34-3)14-12-17)27(33)31-28-23(26(29)32)19-8-4-5-10-21(19)35-28/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H2,29,32)(H,31,33)