N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(cyclopropanecarbonylamino)benzyl]-2-(phenylthio)nicotinamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)CNC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c27-21(17-10-11-17)26-18-12-8-16(9-13-18)15-25-22(28)20-7-4-14-24-23(20)29-19-5-2-1-3-6-19/h1-9,12-14,17H,10-11,15H2,(H,25,28)(H,26,27)