[4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(2-phenylpropanoyl)carbamothioic S-acid

Systemtic Name: [4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(2-phenylpropanoyl)carbamothioic S-acid Openeye Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(2-phenylpropanoyl)carbamothioic S-acid CAS Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(1-oxo-2-phenylpropyl)carbamothioic S-acid IUPAC Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(2-phenylpropanoyl)carbamothioic S-acid Traditional Name: hydratropoyl-[4-(6-keto-4-methyl-4,5-dihydro-1H-pyridazin-3-yl)phenyl]thiocarbamic S-acid Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)C(C)C3=CC=CC=C3)C(=O)S

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)C(C)C3=CC=CC=C3)C(=O)S

InChI

InChI=1S/C21H21N3O3S/c1-13-12-18(25)22-23-19(13)16-8-10-17(11-9-16)24(21(27)28)20(26)14(2)15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3,(H,22,25)(H,27,28)