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

Systemtic Name: 6-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(heptylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(heptylthio)-1,3-benzothiazol-6-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C21H24N2OS2 MolecularWeight: 384.55806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

Isomeric SMILES

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

InChI

InChI=1S/C21H24N2OS2/c1-2-3-4-5-8-13-25-21-23-18-12-11-17(14-20(18)26-21)22-15-16-9-6-7-10-19(16)24/h6-7,9-12,14-15,22H,2-5,8,13H2,1H3