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

Systemtic Name: N-(3-piperidin-1-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-[3-(1-piperidyl)propyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-[3-(1-piperidinyl)propyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3-piperidin-1-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-(3-piperidinopropyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C24H35N5OS MolecularWeight: 441.6326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C24H35N5OS/c30-23(25-13-6-16-29-14-4-1-5-15-29)19-11-9-18(10-12-19)17-26-22-20-7-2-3-8-21(20)27-24(31)28-22/h2-3,7-8,18-19H,1,4-6,9-17H2,(H,25,30)(H2,26,27,28,31)