N-(pyridin-3-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(3-pyridylmethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-(3-pyridinylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-(3-pyridylmethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H25N5OS/c28-21(25-14-16-4-3-11-23-12-16)17-9-7-15(8-10-17)13-24-20-18-5-1-2-6-19(18)26-22(29)27-20/h1-6,11-12,15,17H,7-10,13-14H2,(H,25,28)(H2,24,26,27,29)