4-(azepan-1-ylsulfonyl)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzamide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N2CCOC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)N2CCOC

InChI

InChI=1S/C25H31N3O4S2/c1-18-16-22-23(17-19(18)2)33-25(28(22)14-15-32-3)26-24(29)20-8-10-21(11-9-20)34(30,31)27-12-6-4-5-7-13-27/h8-11,16-17H,4-7,12-15H2,1-3H3