dimethyl-[[4-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl]azanium

Systemtic Name: dimethyl-[[4-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl]azanium Openeye Name: [4-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: dimethyl-[[4-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-2-quinazolinyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl]azanium Traditional Name: [4-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

InChI

InChI=1S/C23H28N4OS/c1-15(2)17-11-8-9-16(3)22(17)26-21(28)14-29-23-18-10-6-7-12-19(18)24-20(25-23)13-27(4)5/h6-12,15H,13-14H2,1-5H3,(H,26,28)/p+1