4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]butyramide Formula: C22H21N3O3S3 MolecularWeight: 471.61544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S3/c1-27-14-9-10-18(28-2)15(12-14)17-13-30-21(23-17)25-20(26)8-5-11-29-22-24-16-6-3-4-7-19(16)31-22/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,25,26)