N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[methyl(2-thienylsulfonyl)amino]butanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-[methyl(2-thienylsulfonyl)amino]butyramide Formula: C18H21N3O3S3 MolecularWeight: 423.57264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C18H21N3O3S3/c1-12-10-13(2)17-14(11-12)26-18(20-17)19-15(22)6-4-8-21(3)27(23,24)16-7-5-9-25-16/h5,7,9-11H,4,6,8H2,1-3H3,(H,19,20,22)