3-[[(Z)-(3-hexadecyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid

Systemtic Name: 3-[[(Z)-(3-hexadecyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Openeye Name: 3-[[(Z)-(3-hexadecyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid CAS Name: 3-[[(Z)-(3-hexadecyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid IUPAC Name: 3-[[(Z)-(3-hexadecyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Traditional Name: 3-[[(Z)-(3-cetyl-1,3-benzothiazol-2-ylidene)amino]sulfamoyl]benzoic acid Formula: C30H43N3O4S2 MolecularWeight: 573.81012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2SC1=NNS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCN\1C2=CC=CC=C2S/C1=N\NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C30H43N3O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-33-27-21-15-16-22-28(27)38-30(33)31-32-39(36,37)26-20-18-19-25(24-26)29(34)35/h15-16,18-22,24,32H,2-14,17,23H2,1H3,(H,34,35)/b31-30-