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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-5-(3-methylbutanoylamino)phenyl]-3-methyl-butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-5-(3-methylbutanoylamino)phenyl]-3-methyl-butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5-[(3-methyl-1-oxobutyl)amino]phenyl]-3-methylbutanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-5-(3-methylbutanoylamino)phenyl]-3-methylbutanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-5-(isovalerylamino)phenyl]-3-methyl-butyramide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)CC(C)C

InChI

InChI=1S/C23H27N3O2S/c1-14(2)9-21(27)24-17-11-16(12-18(13-17)25-22(28)10-15(3)4)23-26-19-7-5-6-8-20(19)29-23/h5-8,11-15H,9-10H2,1-4H3,(H,24,27)(H,25,28)