N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-2-(2-thienyl)thiazole-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-methyl-2-thiophen-2-yl-5-thiazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-methyl-2-(2-thienyl)thiazole-5-carboxamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O3S3/c1-15-19(29-21(22-15)18-10-7-13-28-18)20(25)23-16-8-6-9-17(14-16)30(26,27)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12H2,1H3,(H,23,25)