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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[6-(4-methylpiperazino)-3-pyridyl]methyl]thiourea Formula: C20H27N5S MolecularWeight: 369.52688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=CN=C(C=C2)N3CCN(CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=CN=C(C=C2)N3CCN(CC3)C)C

InChI

InChI=1S/C20H27N5S/c1-15-4-6-18(12-16(15)2)23-20(26)22-14-17-5-7-19(21-13-17)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11,14H2,1-3H3,(H2,22,23,26)