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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(4H-thiochromeno[4,3-d]thiazol-2-yl)benzamide Formula: C23H23N3O3S3 MolecularWeight: 485.64202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)CSC5=CC=CC=C54

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)CSC5=CC=CC=C54

InChI

InChI=1S/C23H23N3O3S3/c27-22(25-23-24-21-18-7-3-4-8-19(18)30-15-20(21)31-23)16-9-11-17(12-10-16)32(28,29)26-13-5-1-2-6-14-26/h3-4,7-12H,1-2,5-6,13-15H2,(H,24,25,27)