4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyclododecylideneamino)benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyclododecylideneamino)benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyclododecylideneamino)benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(cyclododecylideneamino)benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-(cyclododecylideneamino)benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-(cyclododecylideneamino)benzamide Formula: C27H33N3OS2 MolecularWeight: 479.70042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)CCCCC1

Isomeric SMILES

C1CCCCCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)CCCCC1

InChI

InChI=1S/C27H33N3OS2/c31-26(30-29-23-12-8-6-4-2-1-3-5-7-9-13-23)22-18-16-21(17-19-22)20-32-27-28-24-14-10-11-15-25(24)33-27/h10-11,14-19H,1-9,12-13,20H2,(H,30,31)