N-[4-[2-(1,3-benzothiazol-2-ylmethoxy)ethanoylamino]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylmethoxy)ethanoylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[2-(1,3-benzothiazol-2-ylmethoxy)-1-oxoethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]phenyl]-3-methyl-butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)COCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H23N3O3S/c1-14(2)11-19(25)22-15-7-9-16(10-8-15)23-20(26)12-27-13-21-24-17-5-3-4-6-18(17)28-21/h3-10,14H,11-13H2,1-2H3,(H,22,25)(H,23,26)