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

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonyl-benzamide Openeye Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonyl-benzamide CAS Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonylbenzamide IUPAC Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-ethylsulfonylbenzamide Traditional Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-2-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=CC=C3S(=O)(=O)CC)S2)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)CC)S2)C

InChI

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