2-acetamido-3-(4-fluorophenyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]propionamide Formula: C24H22FN3O2S3 MolecularWeight: 499.643783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4=CSC=C4

InChI

InChI=1S/C24H22FN3O2S3/c1-15(29)26-21(12-16-2-4-18(25)5-3-16)23(30)27-19-6-7-20-22(13-19)33-24(28-20)32-11-9-17-8-10-31-14-17/h2-8,10,13-14,21H,9,11-12H2,1H3,(H,26,29)(H,27,30)