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

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

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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=CC=C3OC)NC1=S

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3OC)NC1=S

InChI

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