N-[2-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-3-methyl-butan-2-yl]-4-iodanyl-benzamide

Systemtic Name: N-[2-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-3-methyl-butan-2-yl]-4-iodanyl-benzamide Openeye Name: N-[1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-1,2-dimethyl-propyl]-4-iodo-benzamide CAS Name: N-[2-[(E)-[(cyanoamino)-(3-pyridinylamino)methylidene]amino]-3-methylbutan-2-yl]-4-iodobenzamide IUPAC Name: N-[2-[(E)-[(cyanoamino)-(pyridin-3-ylamino)methylidene]amino]-3-methylbutan-2-yl]-4-iodobenzamide Traditional Name: N-[1-[(E)-[(cyanoamino)-(3-pyridylamino)methylene]amino]-1,2-dimethyl-propyl]-4-iodo-benzamide Formula: C19H21IN6O MolecularWeight: 476.31411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(NC(=O)C1=CC=C(C=C1)I)N=C(NC#N)NC2=CN=CC=C2

Isomeric SMILES

CC(C)C(C)(NC(=O)C1=CC=C(C=C1)I)/N=C(/NC#N)\NC2=CN=CC=C2

InChI

InChI=1S/C19H21IN6O/c1-13(2)19(3,25-17(27)14-6-8-15(20)9-7-14)26-18(23-12-21)24-16-5-4-10-22-11-16/h4-11,13H,1-3H3,(H,25,27)(H2,23,24,26)