2-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxidanylidene-butyl]-1H-quinazolin-4-one Openeye Name: 2-[4-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]-4-oxo-butyl]-1H-quinazolin-4-one CAS Name: 2-[4-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-4-oxobutyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-4-oxobutyl]-1H-quinazolin-4-one Traditional Name: 2-[4-keto-4-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]butyl]-1H-quinazolin-4-one Formula: C21H24N4O4S2 MolecularWeight: 460.56966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H24N4O4S2/c1-15-9-10-20(30-15)31(28,29)25-13-11-24(12-14-25)19(26)8-4-7-18-22-17-6-3-2-5-16(17)21(27)23-18/h2-3,5-6,9-10H,4,7-8,11-14H2,1H3,(H,22,23,27)