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

Systemtic Name: 6-[[(2-hexadecylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(2-hexadecylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(hexadecylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(2-hexadecylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(cetylthio)-1,3-benzothiazol-6-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C30H42N2OS2 MolecularWeight: 510.79728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C=CC=CC3=O

InChI

InChI=1S/C30H42N2OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-34-30-32-27-21-20-26(23-29(27)35-30)31-24-25-18-15-16-19-28(25)33/h15-16,18-21,23-24,31H,2-14,17,22H2,1H3