N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-[methyl(2-thienylsulfonyl)amino]butanamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-[methyl(2-thienylsulfonyl)amino]butyramide Formula: C23H23N3O3S3 MolecularWeight: 485.64202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN(CCCC(=O)NC1=CC=C(C=C1)CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H23N3O3S3/c1-26(32(28,29)23-9-5-15-30-23)14-4-8-21(27)24-18-12-10-17(11-13-18)16-22-25-19-6-2-3-7-20(19)31-22/h2-3,5-7,9-13,15H,4,8,14,16H2,1H3,(H,24,27)