3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(3-cyano-2-thienyl)propionamide Formula: C17H16N4OS2 MolecularWeight: 356.46514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C=CS1)C#N)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C#N)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N4OS2/c1-21(11-16-19-13-4-2-3-5-14(13)24-16)8-6-15(22)20-17-12(10-18)7-9-23-17/h2-5,7,9H,6,8,11H2,1H3,(H,20,22)