N'-[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-2-thiophen-2-yl-quinoline-4-carbohydrazide

Systemtic Name: N'-[4-(azepan-1-ylsulfonyl)phenyl]carbonyl-2-thiophen-2-yl-quinoline-4-carbohydrazide Openeye Name: N'-[4-(azepan-1-ylsulfonyl)benzoyl]-2-(2-thienyl)quinoline-4-carbohydrazide CAS Name: N'-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]-2-thiophen-2-yl-4-quinolinecarbohydrazide IUPAC Name: N'-[4-(azepan-1-ylsulfonyl)benzoyl]-2-thiophen-2-ylquinoline-4-carbohydrazide Traditional Name: N'-[4-(azepan-1-ylsulfonyl)benzoyl]-2-(2-thienyl)cinchoninohydrazide Formula: C27H26N4O4S2 MolecularWeight: 534.64974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H26N4O4S2/c32-26(19-11-13-20(14-12-19)37(34,35)31-15-5-1-2-6-16-31)29-30-27(33)22-18-24(25-10-7-17-36-25)28-23-9-4-3-8-21(22)23/h3-4,7-14,17-18H,1-2,5-6,15-16H2,(H,29,32)(H,30,33)