N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-methyl-1,4-diazepane-1-carbothioamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCN(CC3)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCCN(CC3)C

InChI

InChI=1S/C18H25N5OS/c1-14-16(19-18(25)22-11-7-10-20(2)12-13-22)17(24)23(21(14)3)15-8-5-4-6-9-15/h4-6,8-9H,7,10-13H2,1-3H3,(H,19,25)