N-[4-(2-azanylpyridin-4-yl)sulfanylphenyl]-4-(quinolin-4-ylamino)benzamide hydrochloride

Systemtic Name: N-[4-(2-azanylpyridin-4-yl)sulfanylphenyl]-4-(quinolin-4-ylamino)benzamide hydrochloride Openeye Name: N-[4-[(2-amino-4-pyridyl)sulfanyl]phenyl]-4-(4-quinolylamino)benzamide hydrochloride CAS Name: N-[4-[(2-amino-4-pyridinyl)thio]phenyl]-4-(4-quinolinylamino)benzamide hydrochloride IUPAC Name: N-[4-(2-aminopyridin-4-yl)sulfanylphenyl]-4-(quinolin-4-ylamino)benzamide hydrochloride Traditional Name: N-[4-[(2-amino-4-pyridyl)thio]phenyl]-4-(4-quinolylamino)benzamide hydrochloride Formula: C27H22ClN5OS MolecularWeight: 500.01448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)SC5=CC(=NC=C5)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)SC5=CC(=NC=C5)N.Cl

InChI

InChI=1S/C27H21N5OS.ClH/c28-26-17-22(13-15-30-26)34-21-11-9-20(10-12-21)32-27(33)18-5-7-19(8-6-18)31-25-14-16-29-24-4-2-1-3-23(24)25;/h1-17H,(H2,28,30)(H,29,31)(H,32,33);1H