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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-propyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(3-morpholin-4-ium-4-ylpropyl)-3-propyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCOCC3)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCOCC3)NC1=S

InChI

InChI=1S/C19H26N4O3S/c1-2-7-23-18(25)15-5-4-14(13-16(15)21-19(23)27)17(24)20-6-3-8-22-9-11-26-12-10-22/h4-5,13H,2-3,6-12H2,1H3,(H,20,24)(H,21,27)/p+1