4-butyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)cyclohexane-1-carboxamide

Systemtic Name: 4-butyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)cyclohexane-1-carboxamide Openeye Name: 4-butyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide CAS Name: 4-butyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-cyclohexanecarboxamide IUPAC Name: 4-butyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)cyclohexane-1-carboxamide Traditional Name: 4-butyl-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

InChI

InChI=1S/C21H27N3O3S2/c1-3-5-6-15-7-9-16(10-8-15)20(25)23-21-24(13-4-2)18-12-11-17(29(22,26)27)14-19(18)28-21/h2,11-12,14-16H,3,5-10,13H2,1H3,(H2,22,26,27)