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

Systemtic Name: N-(oxolan-2-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(tetrahydrofuran-2-ylmethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-(2-oxolanylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-(tetrahydrofurfuryl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

C1CC(OC1)CNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C21H28N4O2S/c26-20(23-13-16-4-3-11-27-16)15-9-7-14(8-10-15)12-22-19-17-5-1-2-6-18(17)24-21(28)25-19/h1-2,5-6,14-16H,3-4,7-13H2,(H,23,26)(H2,22,24,25,28)