N-(1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]butyramide Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=NC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C20H18N4O2S2/c1-3-15(17(25)23-19-21-14-10-6-7-11-16(14)27-19)28-20-22-13-9-5-4-8-12(13)18(26)24(20)2/h4-11,15H,3H2,1-2H3,(H,21,23,25)