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

Systemtic Name: [4-(4-methyl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(3-phenylpropanoyl)carbamothioic S-acid Openeye Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(3-phenylpropanoyl)carbamothioic S-acid CAS Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(1-oxo-3-phenylpropyl)carbamothioic S-acid IUPAC Name: [4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-(3-phenylpropanoyl)carbamothioic S-acid Traditional Name: hydrocinnamoyl-[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)CCC3=CC=CC=C3)C(=O)S

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N(C(=O)CCC3=CC=CC=C3)C(=O)S

InChI

InChI=1S/C21H21N3O3S/c1-14-13-18(25)22-23-20(14)16-8-10-17(11-9-16)24(21(27)28)19(26)12-7-15-5-3-2-4-6-15/h2-6,8-11,14H,7,12-13H2,1H3,(H,22,25)(H,27,28)