(5E)-3-butyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-butyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-1,3-thiazolidin-4-one Openeye Name: (5E)-3-butyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-thiazolidin-4-one CAS Name: (5E)-3-butyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-4-thiazolidinone IUPAC Name: (5E)-3-butyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-1,3-thiazolidin-4-one Traditional Name: (5E)-3-butyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-stearylimino-thiazolidin-4-one Formula: C33H53N3OS2 MolecularWeight: 571.92342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN=C1N(C(=O)C(=C2N(C3=CC=CC=C3S2)C)S1)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN=C1N(C(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/S1)CCCC

InChI

InChI=1S/C33H53N3OS2/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-33-36(27-7-5-2)31(37)30(39-33)32-35(3)28-24-21-22-25-29(28)38-32/h21-22,24-25H,4-20,23,26-27H2,1-3H3/b32-30+,34-33?