2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-pentyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-pentyl-7-(4-phenylpiperazin-1-yl)carbonyl-quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-pentyl-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-pentyl-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Traditional Name: 3-amyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-7-(4-phenylpiperazine-1-carbonyl)quinazolin-4-one Formula: C30H38N4O3S MolecularWeight: 534.71272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C30H38N4O3S/c1-5-6-10-15-34-28(37)24-14-13-22(20-25(24)31-29(34)38-21-26(35)30(2,3)4)27(36)33-18-16-32(17-19-33)23-11-8-7-9-12-23/h7-9,11-14,20H,5-6,10,15-19,21H2,1-4H3