N-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]-3-methyl-butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H25N3O2S/c1-15(2)14-21(27)24-17-12-10-16(11-13-17)23-20(26)8-5-9-22-25-18-6-3-4-7-19(18)28-22/h3-4,6-7,10-13,15H,5,8-9,14H2,1-2H3,(H,23,26)(H,24,27)