2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluorophenyl)-(2-thienyl)methyl]propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(4-fluorophenyl)-(2-thienyl)methyl]propionamide Formula: C21H18FN3OS2 MolecularWeight: 411.515523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=C(C=C1)F)C2=CC=CS2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC(C1=CC=C(C=C1)F)C2=CC=CS2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18FN3OS2/c1-13(23-21-24-16-5-2-3-6-17(16)28-21)20(26)25-19(18-7-4-12-27-18)14-8-10-15(22)11-9-14/h2-13,19H,1H3,(H,23,24)(H,25,26)