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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-(2-methoxyphenyl)piperazine-1-carbothioamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H27N5O2S/c1-17-21(22(29)28(25(17)2)18-9-5-4-6-10-18)24-23(31)27-15-13-26(14-16-27)19-11-7-8-12-20(19)30-3/h4-12H,13-16H2,1-3H3,(H,24,31)