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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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