N-tert-butyl-2-[4-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H30N5O3S+ MolecularWeight: 432.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3S/c1-21(2,3)23-17(27)14-24-10-12-25(13-11-24)18(28)8-9-26-19(29)15-6-4-5-7-16(15)22-20(26)30/h4-7H,8-14H2,1-3H3,(H,22,30)(H,23,27)/p+1