N-[3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]phenyl]cyclopropanecarboxamide Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC(=CC=C2)NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1C(=O)NC2=CC(=CC=C2)NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H19N3O2S2/c24-18(11-26-12-19-23-16-6-1-2-7-17(16)27-19)21-14-4-3-5-15(10-14)22-20(25)13-8-9-13/h1-7,10,13H,8-9,11-12H2,(H,21,24)(H,22,25)