N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-thiophen-2-yl]-3-phenyl-propanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-thiophen-2-yl]-3-phenyl-propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thienyl]-3-phenyl-propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thiophenyl]-3-phenylpropanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]-3-phenylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethyl-2-thienyl]-3-phenyl-propionamide Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H20N2OS2/c1-14-15(2)26-22(24-19(25)13-12-16-8-4-3-5-9-16)20(14)21-23-17-10-6-7-11-18(17)27-21/h3-11H,12-13H2,1-2H3,(H,24,25)