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

Systemtic Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Openeye Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide CAS Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]propanamide Traditional Name: 2-acetamido-3-(4-fluorophenyl)-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C26H24FN3O3S2 MolecularWeight: 509.615463

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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)SCC4=CC=CC=C4OC

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

InChI

InChI=1S/C26H24FN3O3S2/c1-16(31)28-22(13-17-7-9-19(27)10-8-17)25(32)29-20-11-12-21-24(14-20)35-26(30-21)34-15-18-5-3-4-6-23(18)33-2/h3-12,14,22H,13,15H2,1-2H3,(H,28,31)(H,29,32)