N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethylsulfonyl-benzamide

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethylsulfonyl-benzamide Openeye Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethylsulfonyl-benzamide CAS Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethylsulfonylbenzamide IUPAC Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethylsulfonylbenzamide Traditional Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-esyl-benzamide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S2/c1-4-6-7-15-8-13-18-19(14-15)27-21(23(18)3)22-20(24)16-9-11-17(12-10-16)28(25,26)5-2/h8-14H,4-7H2,1-3H3