N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-oxidanylidene-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]butanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-oxidanylidene-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]butanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-oxo-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]butanamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-3-oxo-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]butanamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-3-oxo-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]butanamide Traditional Name: 3-keto-N-(5-methyl-2-phenyl-pyrazol-3-yl)-4-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]butyramide Formula: C27H27N5O2S MolecularWeight: 485.60058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)CCCC3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)CCCC3)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S/c1-19-16-25(32(30-19)21-12-6-3-7-13-21)29-26(34)17-22(33)18-35-27-28-23-14-8-9-15-24(23)31(27)20-10-4-2-5-11-20/h2-7,10-13,16H,8-9,14-15,17-18H2,1H3,(H,29,34)