N-[4-[5-(1,4-diazepan-1-ylcarbonyl)furan-2-yl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[5-(1,4-diazepan-1-ylcarbonyl)furan-2-yl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-[5-(1,4-diazepane-1-carbonyl)-2-furyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-furanyl]phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[5-(1,4-diazepane-1-carbonyl)furan-2-yl]phenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[5-(1,4-diazepane-1-carbonyl)-2-furyl]phenyl]-2-(phenylthio)nicotinamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)NC(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)NC(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O3S/c33-26(23-8-4-16-30-27(23)36-22-6-2-1-3-7-22)31-21-11-9-20(10-12-21)24-13-14-25(35-24)28(34)32-18-5-15-29-17-19-32/h1-4,6-14,16,29H,5,15,17-19H2,(H,31,33)