1-(3-chlorophenyl)-3-[1-(4-methylpiperazin-1-yl)-1-phenyl-propan-2-yl]thiourea

Systemtic Name: 1-(3-chlorophenyl)-3-[1-(4-methylpiperazin-1-yl)-1-phenyl-propan-2-yl]thiourea Openeye Name: 1-(3-chlorophenyl)-3-[1-methyl-2-(4-methylpiperazin-1-yl)-2-phenyl-ethyl]thiourea CAS Name: 1-(3-chlorophenyl)-3-[1-(4-methyl-1-piperazinyl)-1-phenylpropan-2-yl]thiourea IUPAC Name: 1-(3-chlorophenyl)-3-[1-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]thiourea Traditional Name: 1-(3-chlorophenyl)-3-[1-methyl-2-(4-methylpiperazino)-2-phenyl-ethyl]thiourea Formula: C21H27ClN4S MolecularWeight: 402.98388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)N2CCN(CC2)C)NC(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(C1=CC=CC=C1)N2CCN(CC2)C)NC(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H27ClN4S/c1-16(23-21(27)24-19-10-6-9-18(22)15-19)20(17-7-4-3-5-8-17)26-13-11-25(2)12-14-26/h3-10,15-16,20H,11-14H2,1-2H3,(H2,23,24,27)