diethyl-[2-[7-[(4-methylphenyl)methylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[7-[(4-methylphenyl)methylcarbamoyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Openeye Name: diethyl-[2-[4-oxo-7-(p-tolylmethylcarbamoyl)-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium CAS Name: diethyl-[2-[7-[[(4-methylphenyl)methylamino]-oxomethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[7-[(4-methylphenyl)methylcarbamoyl]-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl]ethyl]azanium Traditional Name: diethyl-[2-[4-keto-7-[(4-methylbenzyl)carbamoyl]-2-thioxo-1H-quinazolin-3-yl]ethyl]ammonium Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C)NC1=S

InChI

InChI=1S/C23H28N4O2S/c1-4-26(5-2)12-13-27-22(29)19-11-10-18(14-20(19)25-23(27)30)21(28)24-15-17-8-6-16(3)7-9-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,28)(H,25,30)/p+1