4-(azepan-1-yl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-4-oxidanylidene-butanamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-4-oxidanylidene-butanamide Openeye Name: 4-(azepan-1-yl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-4-oxo-butanamide CAS Name: 4-(1-azepanyl)-N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-4-oxobutanamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-4-oxobutanamide Traditional Name: 4-(azepan-1-yl)-N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]-4-keto-butyramide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)CCC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)CCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-14(2)20(28)24-21-23-16-13-15(7-8-17(16)29-21)22-18(26)9-10-19(27)25-11-5-3-4-6-12-25/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,22,26)(H,23,24,28)