N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(1-azepanylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(azepan-1-ylsulfonyl)benzamide Formula: C25H26N4O4S2 MolecularWeight: 510.62834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)S2)CC#C

InChI

InChI=1S/C25H26N4O4S2/c1-3-14-29-22-13-10-20(26-18(2)30)17-23(22)34-25(29)27-24(31)19-8-11-21(12-9-19)35(32,33)28-15-6-4-5-7-16-28/h1,8-13,17H,4-7,14-16H2,2H3,(H,26,30)