N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-piperonyl-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(CCC1CNC2=NC(=S)NC3=CC=CC=C32)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N4O3S/c29-23(26-13-16-7-10-20-21(11-16)31-14-30-20)17-8-5-15(6-9-17)12-25-22-18-3-1-2-4-19(18)27-24(32)28-22/h1-4,7,10-11,15,17H,5-6,8-9,12-14H2,(H,26,29)(H2,25,27,28,32)