N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-3-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-benzyl-4-keto-N-(3-morpholin-4-ium-4-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c28-21(24-9-4-10-26-11-13-30-14-12-26)18-7-8-19-20(15-18)25-23(31)27(22(19)29)16-17-5-2-1-3-6-17/h1-3,5-8,15H,4,9-14,16H2,(H,24,28)(H,25,31)/p+1