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

Systemtic Name: N-[3-[[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]methyl]phenyl]cyclobutanecarboxamide Openeye Name: N-[3-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]methyl]phenyl]cyclobutanecarboxamide CAS Name: N-[3-[[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]methyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[3-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]methyl]phenyl]cyclobutanecarboxamide Traditional Name: N-[3-[[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]methyl]phenyl]cyclobutanecarboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O2S2/c25-19(13-27-21-24-17-9-1-2-10-18(17)28-21)22-12-14-5-3-8-16(11-14)23-20(26)15-6-4-7-15/h1-3,5,8-11,15H,4,6-7,12-13H2,(H,22,25)(H,23,26)