N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-butoxyphenyl)-7-chloranyl-8-methyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-butoxyphenyl)-7-chloranyl-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methylquinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-cinchoninamide Formula: C30H30ClN3O3S MolecularWeight: 548.0955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C30H30ClN3O3S/c1-3-4-14-37-19-9-7-8-18(15-19)24-16-22(20-12-13-23(31)17(2)27(20)33-24)29(36)34-30-26(28(32)35)21-10-5-6-11-25(21)38-30/h7-9,12-13,15-16H,3-6,10-11,14H2,1-2H3,(H2,32,35)(H,34,36)