N-butyl-6,7-dimethyl-N-(phenylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-butyl-6,7-dimethyl-N-(phenylmethyl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-benzyl-N-butyl-6,7-dimethyl-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-butyl-6,7-dimethyl-N-(phenylmethyl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-benzyl-N-butyl-6,7-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-benzyl-N-butyl-6,7-dimethyl-2-(2-thienyl)cinchoninamide Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2=CC(=NC3=CC(=C(C=C23)C)C)C4=CC=CS4

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2=CC(=NC3=CC(=C(C=C23)C)C)C4=CC=CS4

InChI

InChI=1S/C27H28N2OS/c1-4-5-13-29(18-21-10-7-6-8-11-21)27(30)23-17-25(26-12-9-14-31-26)28-24-16-20(3)19(2)15-22(23)24/h6-12,14-17H,4-5,13,18H2,1-3H3