1-butyl-2-[[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]methyl]benzimidazole-5-sulfonamide Formula: C27H34N6O4S2 MolecularWeight: 570.72666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCCN5CCOCC5

InChI

InChI=1S/C27H34N6O4S2/c1-2-3-12-32-24-10-9-20(39(28,35)36)18-23(24)29-25(32)19-38-27-30-22-8-5-4-7-21(22)26(34)33(27)13-6-11-31-14-16-37-17-15-31/h4-5,7-10,18H,2-3,6,11-17,19H2,1H3,(H2,28,35,36)