N-(2-morpholin-4-ium-4-ylethyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H22N4O3S/c26-19(22-9-10-24-11-13-28-14-12-24)15-5-7-16(8-6-15)25-20(27)17-3-1-2-4-18(17)23-21(25)29/h1-8H,9-14H2,(H,22,26)(H,23,29)/p+1