1-(4-ethanoylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]thiourea Openeye Name: 1-(4-acetylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[[6-(4-methylpiperazino)-3-pyridyl]methyl]thiourea Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C20H25N5OS/c1-15(26)17-4-6-18(7-5-17)23-20(27)22-14-16-3-8-19(21-13-16)25-11-9-24(2)10-12-25/h3-8,13H,9-12,14H2,1-2H3,(H2,22,23,27)