3-[[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[[3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[3-(4-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]propyl]-methyl-ammonium Formula: C27H28ClN4O2S+ MolecularWeight: 508.05482

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C27H27ClN4O2S/c1-31(17-19-6-3-2-4-7-19)15-5-14-29-25(33)21-10-13-23-24(16-21)30-27(35)32(26(23)34)18-20-8-11-22(28)12-9-20/h2-4,6-13,16H,5,14-15,17-18H2,1H3,(H,29,33)(H,30,35)/p+1