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

Systemtic Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(azepan-1-ylsulfonyl)benzamide Openeye Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(azepan-1-ylsulfonyl)benzamide CAS Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(1-azepanylsulfonyl)benzamide IUPAC Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(azepan-1-ylsulfonyl)benzamide Traditional Name: N-[6-acetamido-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(azepan-1-ylsulfonyl)benzamide Formula: C26H32N4O5S2 MolecularWeight: 544.68608

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H32N4O5S2/c1-3-35-17-16-30-23-13-10-21(27-19(2)31)18-24(23)36-26(30)28-25(32)20-8-11-22(12-9-20)37(33,34)29-14-6-4-5-7-15-29/h8-13,18H,3-7,14-17H2,1-2H3,(H,27,31)