N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-azetidine-3-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-azetidine-3-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)azetidine-3-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonyl-3-azetidinecarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-thiophen-2-ylsulfonylazetidine-3-carboxamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(2-thienylsulfonyl)azetidine-3-carboxamide Formula: C22H19N3O3S3 MolecularWeight: 469.59956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CN(C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CN(C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H19N3O3S3/c1-14-4-9-18-19(11-14)30-22(24-18)15-5-7-17(8-6-15)23-21(26)16-12-25(13-16)31(27,28)20-3-2-10-29-20/h2-11,16H,12-13H2,1H3,(H,23,26)