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

Systemtic Name: N-butyl-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Openeye Name: N-butyl-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide CAS Name: N-butyl-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-butyl-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]cyclohexane-1-carboxamide Traditional Name: N-butyl-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]cyclohexanecarboxamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCC(CC1)CNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

CCCCNC(=O)C1CCC(CC1)CNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C20H28N4OS/c1-2-3-12-21-19(25)15-10-8-14(9-11-15)13-22-18-16-6-4-5-7-17(16)23-20(26)24-18/h4-7,14-15H,2-3,8-13H2,1H3,(H,21,25)(H2,22,23,24,26)