3,4-dimethoxy-N-[2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-[[4-[anilino(oxo)methyl]phenyl]methylthio]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide IUPAC Name: 3,4-dimethoxy-N-[2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3,4-dimethoxy-N-[2-[[4-(phenylcarbamoyl)benzyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C30H25N3O4S2 MolecularWeight: 555.6672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)OC

InChI

InChI=1S/C30H25N3O4S2/c1-36-25-15-12-21(16-26(25)37-2)29(35)32-23-13-14-24-27(17-23)39-30(33-24)38-18-19-8-10-20(11-9-19)28(34)31-22-6-4-3-5-7-22/h3-17H,18H2,1-2H3,(H,31,34)(H,32,35)