4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide Formula: C22H23N3OS2 MolecularWeight: 409.56752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)C1

Isomeric SMILES

C[C@H]1CCC/C(=N\NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)/C1

InChI

InChI=1S/C22H23N3OS2/c1-15-5-4-6-18(13-15)24-25-21(26)17-11-9-16(10-12-17)14-27-22-23-19-7-2-3-8-20(19)28-22/h2-3,7-12,15H,4-6,13-14H2,1H3,(H,25,26)/b24-18+/t15-/m0/s1