N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide

Systemtic Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide Openeye Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide CAS Name: N-[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]-3-(2-methyl-1-imidazolyl)propanamide IUPAC Name: N-[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-(2-methylimidazol-1-yl)propanamide Traditional Name: 3-(2-methylimidazol-1-yl)-N-[2-(o-anisylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

Isomeric SMILES

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=C4OC

InChI

InChI=1S/C22H22N4O2S2/c1-15-23-10-12-26(15)11-9-21(27)24-17-7-8-18-20(13-17)30-22(25-18)29-14-16-5-3-4-6-19(16)28-2/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,24,27)