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

Systemtic Name: N-(3-pyrrolidin-1-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(3-pyrrolidin-1-ylpropyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-[3-(1-pyrrolidinyl)propyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(3-pyrrolidin-1-ylpropyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-(3-pyrrolidinopropyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)CCCNC(=O)C2CCC(CC2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C23H33N5OS/c29-22(24-12-5-15-28-13-3-4-14-28)18-10-8-17(9-11-18)16-25-21-19-6-1-2-7-20(19)26-23(30)27-21/h1-2,6-7,17-18H,3-5,8-16H2,(H,24,29)(H2,25,26,27,30)