diethyl-[2-[[3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-keto-3-o-anisyl-2-thioxo-1H-quinazoline-7-carbonyl)amino]ethyl]ammonium Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC

InChI

InChI=1S/C23H28N4O3S/c1-4-26(5-2)13-12-24-21(28)16-10-11-18-19(14-16)25-23(31)27(22(18)29)15-17-8-6-7-9-20(17)30-3/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,28)(H,25,31)/p+1