N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(2,6-dimethylmorpholino)sulfonyl-benzamide Formula: C25H26N4O5S2 MolecularWeight: 526.62774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC#C

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)NC(=O)C)CC#C

InChI

InChI=1S/C25H26N4O5S2/c1-5-12-29-22-11-8-20(26-18(4)30)13-23(22)35-25(29)27-24(31)19-6-9-21(10-7-19)36(32,33)28-14-16(2)34-17(3)15-28/h1,6-11,13,16-17H,12,14-15H2,2-4H3,(H,26,30)