3-methyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-benzo[g]quinazolin-4-one

Systemtic Name: 3-methyl-2-(4-oxidanylidene-4-thiophen-2-yl-butyl)sulfanyl-benzo[g]quinazolin-4-one Openeye Name: 3-methyl-2-[4-oxo-4-(2-thienyl)butyl]sulfanyl-benzo[g]quinazolin-4-one CAS Name: 3-methyl-2-[(4-oxo-4-thiophen-2-ylbutyl)thio]-4-benzo[g]quinazolinone IUPAC Name: 3-methyl-2-(4-oxo-4-thiophen-2-ylbutyl)sulfanylbenzo[g]quinazolin-4-one Traditional Name: 2-[[4-keto-4-(2-thienyl)butyl]thio]-3-methyl-benzo[g]quinazolin-4-one Formula: C21H18N2O2S2 MolecularWeight: 394.50982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCCCC(=O)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O2S2/c1-23-20(25)16-12-14-6-2-3-7-15(14)13-17(16)22-21(23)27-11-4-8-18(24)19-9-5-10-26-19/h2-3,5-7,9-10,12-13H,4,8,11H2,1H3