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

Systemtic Name: N-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]phenyl]-3-methyl-butyramide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O2S2/c1-13(2)11-18(24)21-14-7-9-15(10-8-14)22-19(25)12-26-20-23-16-5-3-4-6-17(16)27-20/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,25)