4-ethylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-ethylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-ethylsulfonyl-N-(6-isopropyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-ethylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-ethylsulfonyl-N-(6-propan-2-yl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-esyl-N-(6-isopropyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(C)C)CC#C

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(C)C)CC#C

InChI

InChI=1S/C22H22N2O3S2/c1-5-13-24-19-12-9-17(15(3)4)14-20(19)28-22(24)23-21(25)16-7-10-18(11-8-16)29(26,27)6-2/h1,7-12,14-15H,6,13H2,2-4H3