N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(azepan-1-ylsulfonyl)benzamide

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(azepan-1-ylsulfonyl)benzamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(azepan-1-ylsulfonyl)benzamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(1-azepanylsulfonyl)benzamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(azepan-1-ylsulfonyl)benzamide Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5S2/c1-18(30)26-20-9-12-22-23(17-20)35-25(29(22)15-16-34-2)27-24(31)19-7-10-21(11-8-19)36(32,33)28-13-5-3-4-6-14-28/h7-12,17H,3-6,13-16H2,1-2H3,(H,26,30)