N-(pyridin-3-ylmethyl)-2-[4-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]phenyl]ethanamide

Systemtic Name: N-(pyridin-3-ylmethyl)-2-[4-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]phenyl]ethanamide Openeye Name: N-(3-pyridylmethyl)-2-[4-[(2-thioxo-1H-quinazolin-4-yl)amino]phenyl]acetamide CAS Name: N-(3-pyridinylmethyl)-2-[4-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]phenyl]acetamide IUPAC Name: N-(pyridin-3-ylmethyl)-2-[4-[(2-sulfanylidene-1H-quinazolin-4-yl)amino]phenyl]acetamide Traditional Name: N-(3-pyridylmethyl)-2-[4-[(2-thioxo-1H-quinazolin-4-yl)amino]phenyl]acetamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=S)N2)NC3=CC=C(C=C3)CC(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=S)N2)NC3=CC=C(C=C3)CC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H19N5OS/c28-20(24-14-16-4-3-11-23-13-16)12-15-7-9-17(10-8-15)25-21-18-5-1-2-6-19(18)26-22(29)27-21/h1-11,13H,12,14H2,(H,24,28)(H2,25,26,27,29)