4-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-butyramide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4O2S2/c1-25(13-18-22-15-8-3-2-7-14(15)20(27)24-18)19(26)11-6-12-28-21-23-16-9-4-5-10-17(16)29-21/h2-5,7-10H,6,11-13H2,1H3,(H,22,24,27)