N-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-phenyl-ethyl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-phenyl-ethyl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-2-phenyl-ethyl]-4-chloro-benzenesulfonamide CAS Name: N-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-2-phenylethyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-2-phenylethyl]-4-chlorobenzenesulfonamide Traditional Name: N-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-2-phenyl-ethyl]-4-chloro-benzenesulfonamide Formula: C26H26ClN3O3S2 MolecularWeight: 528.08594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(CNS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(CNS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H26ClN3O3S2/c1-2-3-17-30-25(31)22-11-7-8-12-23(22)29-26(30)34-24(19-9-5-4-6-10-19)18-28-35(32,33)21-15-13-20(27)14-16-21/h4-16,24,28H,2-3,17-18H2,1H3