N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide Openeye Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonyl-benzamide CAS Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide IUPAC Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide Traditional Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-esyl-benzamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)CC)S2)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)S(=O)(=O)CC)S2)C

InChI

InChI=1S/C21H24N2O3S2/c1-4-6-8-15-11-12-18-19(13-15)27-21(23(18)3)22-20(24)16-9-7-10-17(14-16)28(25,26)5-2/h7,9-14H,4-6,8H2,1-3H3