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

Systemtic Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide Openeye Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonyl-benzamide CAS Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide IUPAC Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylsulfonylbenzamide Traditional Name: N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-mesyl-benzamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-4-5-7-14-10-11-17-18(12-14)26-20(22(17)2)21-19(23)15-8-6-9-16(13-15)27(3,24)25/h6,8-13H,4-5,7H2,1-3H3