N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonyl-benzamide Openeye Name: 3-isopropylsulfonyl-N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-(6-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-propan-2-ylsulfonylbenzamide Traditional Name: 3-isopropylsulfonyl-N-(6-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S2/c1-5-11-23-18-10-9-16(27-4)13-19(18)28-21(23)22-20(24)15-7-6-8-17(12-15)29(25,26)14(2)3/h1,6-10,12-14H,11H2,2-4H3