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

Systemtic Name: N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-chlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-chlorophenyl)-3-methyl-cinchoninamide Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C29H28ClN3O2S/c1-3-6-17-9-14-21-23(15-17)36-29(25(21)27(31)34)33-28(35)24-16(2)26(18-10-12-19(30)13-11-18)32-22-8-5-4-7-20(22)24/h4-5,7-8,10-13,17H,3,6,9,14-15H2,1-2H3,(H2,31,34)(H,33,35)