2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]butanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]butanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]butanamide CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]butanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]butanamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-N-[3-(isobutyrylamino)benzyl]butyramide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C

Isomeric SMILES

CCC(CC)(CC1=NC2=CC=CC=C2S1)C(=O)NCC3=CC(=CC=C3)NC(=O)C(C)C

InChI

InChI=1S/C25H31N3O2S/c1-5-25(6-2,15-22-28-20-12-7-8-13-21(20)31-22)24(30)26-16-18-10-9-11-19(14-18)27-23(29)17(3)4/h7-14,17H,5-6,15-16H2,1-4H3,(H,26,30)(H,27,29)