N'-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: N'-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: N'-[3-(pyrimidin-2-ylamino)benzoyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: N'-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: N'-[3-(pyrimidin-2-ylamino)benzoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: N'-[3-(2-pyrimidylamino)benzoyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C20H19N5O2S/c26-18(14-6-3-7-15(11-14)23-20-21-9-4-10-22-20)24-25-19(27)17-12-13-5-1-2-8-16(13)28-17/h3-4,6-7,9-12H,1-2,5,8H2,(H,24,26)(H,25,27)(H,21,22,23)