4-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)thiazol-2-yl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)-2-thiazolyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[4-(1,3-benzothiazol-2-yl)thiazol-2-yl]benzamide Formula: C23H22N4O3S3 MolecularWeight: 498.64078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4O3S3/c28-21(16-9-11-17(12-10-16)33(29,30)27-13-5-1-2-6-14-27)26-23-25-19(15-31-23)22-24-18-7-3-4-8-20(18)32-22/h3-4,7-12,15H,1-2,5-6,13-14H2,(H,25,26,28)