4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide CAS Name: 4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-N-(2-dimethylaminoethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)-N-(2-dimethylaminoethyl)piperazine-1-carbothioamide Formula: C19H25ClN6OS MolecularWeight: 420.9594

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CN(C)CCNC(=S)N1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H25ClN6OS/c1-23(2)9-8-21-19(28)25-12-10-24(11-13-25)16-14-22-26(18(27)17(16)20)15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H,21,28)