5-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-3-prop-2-enyl-1,3-thiazolidin-4-one

Systemtic Name: 5-(5-chloranyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-3-prop-2-enyl-1,3-thiazolidin-4-one Openeye Name: 3-allyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-thiazolidin-4-one CAS Name: 5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-3-prop-2-enyl-4-thiazolidinone IUPAC Name: 5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-octadecylimino-3-prop-2-enyl-1,3-thiazolidin-4-one Traditional Name: 3-allyl-5-(5-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-stearylimino-thiazolidin-4-one Formula: C32H48ClN3OS2 MolecularWeight: 590.32602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN=C1N(C(=O)C(=C2N(C3=C(S2)C=CC(=C3)Cl)C)S1)CC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN=C1N(C(=O)C(=C2N(C3=C(S2)C=CC(=C3)Cl)C)S1)CC=C

InChI

InChI=1S/C32H48ClN3OS2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-32-36(24-5-2)30(37)29(39-32)31-35(3)27-25-26(33)21-22-28(27)38-31/h5,21-22,25H,2,4,6-20,23-24H2,1,3H3