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

Systemtic Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide CAS Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(5,7-dimethyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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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)N4CCOCC4)S2)CC#C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)S2)CC#C)C

InChI

InChI=1S/C23H23N3O4S2/c1-4-9-26-20-15-16(2)14-17(3)21(20)31-23(26)24-22(27)18-5-7-19(8-6-18)32(28,29)25-10-12-30-13-11-25/h1,5-8,14-15H,9-13H2,2-3H3