N-(4-methylpiperazin-4-ium-1-yl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H21N5O2S/c1-19-8-10-20(11-9-19)18-14(22)6-7-21-15(23)12-4-2-3-5-13(12)17-16(21)24/h2-5H,6-11H2,1H3,(H,17,24)(H,18,22)/p+1