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

Systemtic Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide CAS Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(4-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)N2CC#C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)N2CC#C

InChI

InChI=1S/C22H21N3O4S2/c1-3-11-25-20-16(2)5-4-6-19(20)30-22(25)23-21(26)17-7-9-18(10-8-17)31(27,28)24-12-14-29-15-13-24/h1,4-10H,11-15H2,2H3