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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(4-propylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(4-propylphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(4-propylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(4-propylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(4-propylphenyl)cinchoninamide Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C(=O)N

InChI

InChI=1S/C31H33N3O2S/c1-4-6-20-8-11-21(12-9-20)26-17-24(23-15-18(3)7-14-25(23)33-26)30(36)34-31-28(29(32)35)22-13-10-19(5-2)16-27(22)37-31/h7-9,11-12,14-15,17,19H,4-6,10,13,16H2,1-3H3,(H2,32,35)(H,34,36)