N-[(5-methylfuran-2-yl)methyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O2S/c1-14-6-11-17(28-14)13-24-21(27)16-9-7-15(8-10-16)12-23-20-18-4-2-3-5-19(18)25-22(29)26-20/h2-6,11,15-16H,7-10,12-13H2,1H3,(H,24,27)(H2,23,25,26,29)