N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonyl-benzamide Openeye Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-isopropylsulfonyl-benzamide CAS Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide IUPAC Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide Traditional Name: N-(5,7-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-isopropylsulfonyl-benzamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(C)C)S2)CC#C)C

InChI

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