N-(6-butyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(phenylsulfonylmethyl)furan-2-carboxamide Openeye Name: 3-(benzenesulfonylmethyl)-N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide CAS Name: 3-(benzenesulfonylmethyl)-N-(6-butyl-1,3-benzothiazol-2-yl)-2-furancarboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide Traditional Name: 3-(besylmethyl)-N-(6-butyl-1,3-benzothiazol-2-yl)-2-furamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S2/c1-2-3-7-16-10-11-19-20(14-16)30-23(24-19)25-22(26)21-17(12-13-29-21)15-31(27,28)18-8-5-4-6-9-18/h4-6,8-14H,2-3,7,15H2,1H3,(H,24,25,26)