N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propylphenyl)cinchoninamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C(=O)N

InChI

InChI=1S/C29H29N3O2S/c1-3-6-18-10-12-19(13-11-18)24-16-22(20-7-4-5-8-23(20)31-24)28(34)32-29-26(27(30)33)21-14-9-17(2)15-25(21)35-29/h4-5,7-8,10-13,16-17H,3,6,9,14-15H2,1-2H3,(H2,30,33)(H,32,34)