N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide Openeye Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]thiophene-2-carboxamide CAS Name: N-[4-[4-(1-azepanylsulfonyl)phenyl]-2-thiazolyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]thiophene-2-carboxamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O3S3/c24-19(18-6-5-13-27-18)22-20-21-17(14-28-20)15-7-9-16(10-8-15)29(25,26)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12H2,(H,21,22,24)