6-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(nonylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(nonylthio)-1,3-benzothiazol-6-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C23H28N2OS2 MolecularWeight: 412.61122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

InChI

InChI=1S/C23H28N2OS2/c1-2-3-4-5-6-7-10-15-27-23-25-20-14-13-19(16-22(20)28-23)24-17-18-11-8-9-12-21(18)26/h8-9,11-14,16-17,24H,2-7,10,15H2,1H3