2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]-N-phenethyl-benzamide Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]-N-phenethyl-benzamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2NC(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3O2S2/c29-23(16-31-17-24-28-21-12-6-7-13-22(21)32-24)27-20-11-5-4-10-19(20)25(30)26-15-14-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,26,30)(H,27,29)