N-[4-[1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]ethyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[1-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]ethyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[1-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[1-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]ethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[1-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[1-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2CC2)NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S2/c1-14(15-8-10-17(11-9-15)24-22(27)16-6-7-16)23-20(26)12-28-13-21-25-18-4-2-3-5-19(18)29-21/h2-5,8-11,14,16H,6-7,12-13H2,1H3,(H,23,26)(H,24,27)