1-(2,3-dimethylphenyl)-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]thiourea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-yl-propan-2-yl]thiourea Openeye Name: 1-(2,3-dimethylphenyl)-3-[1-methyl-2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(2,3-dimethylphenyl)-3-[1-(4-methyl-1-piperazinyl)-1-thiophen-2-ylpropan-2-yl]thiourea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]thiourea Traditional Name: 1-(2,3-dimethylphenyl)-3-[1-methyl-2-(4-methylpiperazino)-2-(2-thienyl)ethyl]thiourea Formula: C21H30N4S2 MolecularWeight: 402.6197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC(C)C(C2=CC=CS2)N3CCN(CC3)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC(C)C(C2=CC=CS2)N3CCN(CC3)C)C

InChI

InChI=1S/C21H30N4S2/c1-15-7-5-8-18(16(15)2)23-21(26)22-17(3)20(19-9-6-14-27-19)25-12-10-24(4)11-13-25/h5-9,14,17,20H,10-13H2,1-4H3,(H2,22,23,26)