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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H29N4O3S+ MolecularWeight: 453.57706

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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)CCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3S/c29-22(25-10-4-11-27-13-15-31-16-14-27)19-7-8-20-21(17-19)26-24(32)28(23(20)30)12-9-18-5-2-1-3-6-18/h1-3,5-8,17H,4,9-16H2,(H,25,29)(H,26,32)/p+1