diethyl-[3-[[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]carbonylamino]propyl]azanium

Systemtic Name: diethyl-[3-[[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]carbonylamino]propyl]azanium Openeye Name: diethyl-[3-[[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoyl]amino]propyl]ammonium CAS Name: diethyl-[3-[[oxo-[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]phenyl]methyl]amino]propyl]ammonium IUPAC Name: diethyl-[3-[[4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoyl]amino]propyl]azanium Traditional Name: diethyl-[3-[[4-[[(2-thioxo-1H-quinazolin-4-yl)amino]methyl]benzoyl]amino]propyl]ammonium Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=CC=C(C=C1)CNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=CC=C(C=C1)CNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C23H29N5OS/c1-3-28(4-2)15-7-14-24-22(29)18-12-10-17(11-13-18)16-25-21-19-8-5-6-9-20(19)26-23(30)27-21/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,24,29)(H2,25,26,27,30)/p+1