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

Systemtic Name: 6-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(octylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(octylthio)-1,3-benzothiazol-6-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C22H26N2OS2 MolecularWeight: 398.58464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

Isomeric SMILES

CCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

InChI

InChI=1S/C22H26N2OS2/c1-2-3-4-5-6-9-14-26-22-24-19-13-12-18(15-21(19)27-22)23-16-17-10-7-8-11-20(17)25/h7-8,10-13,15-16,23H,2-6,9,14H2,1H3