N-[3-(azepan-1-ium-1-yl)propyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzamide Formula: C25H32N5OS+ MolecularWeight: 450.61948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)CNC3=NC(=S)NC4=CC=CC=C43

InChI

InChI=1S/C25H31N5OS/c31-24(26-14-7-17-30-15-5-1-2-6-16-30)20-12-10-19(11-13-20)18-27-23-21-8-3-4-9-22(21)28-25(32)29-23/h3-4,8-13H,1-2,5-7,14-18H2,(H,26,31)(H2,27,28,29,32)/p+1