N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-2-phenyl-butanamide

Systemtic Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-2-phenyl-butanamide Openeye Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-2-phenyl-butanamide CAS Name: N-[2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazol-5-yl]-2-phenylbutanamide IUPAC Name: N-[2-(2-methylpropanoylamino)-1,3-benzothiazol-5-yl]-2-phenylbutanamide Traditional Name: N-[2-(isobutyrylamino)-1,3-benzothiazol-5-yl]-2-phenyl-butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)NC(=O)C(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)NC(=O)C(C)C

InChI

InChI=1S/C21H23N3O2S/c1-4-16(14-8-6-5-7-9-14)20(26)22-15-10-11-18-17(12-15)23-21(27-18)24-19(25)13(2)3/h5-13,16H,4H2,1-3H3,(H,22,26)(H,23,24,25)