N-[1-[(E)-[(cyanoamino)-[(2-methylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethyl-propyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[1-[(E)-[(cyanoamino)-[(2-methylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethyl-propyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[1-[(E)-[(cyanoamino)-[(2-methyl-3-pyridyl)amino]methylene]amino]-2,2-dimethyl-propyl]-4-(2-thienyl)butanamide CAS Name: N-[1-[(E)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[1-[(E)-[(cyanoamino)-[(2-methylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethylpropyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[1-[(E)-[(cyanoamino)-[(2-methyl-3-pyridyl)amino]methylene]amino]-2,2-dimethyl-propyl]-4-(2-thienyl)butyramide Formula: C21H28N6OS MolecularWeight: 412.55162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)NC(=NC(C(C)(C)C)NC(=O)CCCC2=CC=CS2)NC#N

Isomeric SMILES

CC1=C(C=CC=N1)N/C(=N\C(C(C)(C)C)NC(=O)CCCC2=CC=CS2)/NC#N

InChI

InChI=1S/C21H28N6OS/c1-15-17(10-6-12-23-15)25-20(24-14-22)27-19(21(2,3)4)26-18(28)11-5-8-16-9-7-13-29-16/h6-7,9-10,12-13,19H,5,8,11H2,1-4H3,(H,26,28)(H2,24,25,27)