dimethyl-[3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propyl]azanium Openeye Name: dimethyl-[3-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propyl]ammonium CAS Name: dimethyl-[3-[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]azanium Traditional Name: 3-[4-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]quinazolin-3-yl]propyl-dimethyl-ammonium Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+](C)C

InChI

InChI=1S/C22H26N4O2S/c1-16-9-11-17(12-10-16)23-20(27)15-29-22-24-19-8-5-4-7-18(19)21(28)26(22)14-6-13-25(2)3/h4-5,7-12H,6,13-15H2,1-3H3,(H,23,27)/p+1