4-butyl-3-[[4-(6-oxidanylidene-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid

Systemtic Name: 4-butyl-3-[[4-(6-oxidanylidene-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid Openeye Name: 4-butyl-3-[[4-[6-oxo-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]thiophene-2-carboxylic acid CAS Name: 4-butyl-3-[[oxo-[[4-(6-oxo-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)-1-naphthalenyl]amino]methyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 4-butyl-3-[[4-(6-oxo-1-pyridin-4-yl-2,3-dihydropyridin-4-yl)naphthalen-1-yl]carbamoylamino]thiophene-2-carboxylic acid Traditional Name: 4-butyl-3-[[4-[6-keto-1-(4-pyridyl)-2,3-dihydropyridin-4-yl]-1-naphthyl]carbamoylamino]-2-thenoic acid Formula: C30H28N4O4S MolecularWeight: 540.63272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CSC(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5)C(=O)O

Isomeric SMILES

CCCCC1=CSC(=C1NC(=O)NC2=CC=C(C3=CC=CC=C32)C4=CC(=O)N(CC4)C5=CC=NC=C5)C(=O)O

InChI

InChI=1S/C30H28N4O4S/c1-2-3-6-20-18-39-28(29(36)37)27(20)33-30(38)32-25-10-9-22(23-7-4-5-8-24(23)25)19-13-16-34(26(35)17-19)21-11-14-31-15-12-21/h4-5,7-12,14-15,17-18H,2-3,6,13,16H2,1H3,(H,36,37)(H2,32,33,38)