N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C27H36N5O2S+ MolecularWeight: 494.67204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C

InChI

InChI=1S/C27H35N5O2S/c1-4-30-15-17-31(18-16-30)22-11-9-21(10-12-22)28-25(33)19-35-27-29-24-8-6-5-7-23(24)26(34)32(27)14-13-20(2)3/h5-12,20H,4,13-19H2,1-3H3,(H,28,33)/p+1