N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H26BrN3O3S2 MolecularWeight: 548.51554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C24H26BrN3O3S2/c1-3-4-5-6-13-31-18-10-7-16(8-11-18)22(29)27-23(32)28-24-26-20(15-33-24)17-9-12-21(30-2)19(25)14-17/h7-12,14-15H,3-6,13H2,1-2H3,(H2,26,27,28,29,32)