N-[6-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-1,3-benzothiazol-2-yl]butyramide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H20BrN3O3S/c1-3-4-19(26)25-21-24-16-8-7-15(12-18(16)29-21)23-20(27)10-5-13-11-14(22)6-9-17(13)28-2/h5-12H,3-4H2,1-2H3,(H,23,27)(H,24,25,26)/b10-5+