3-(3-chloranyl-2-methyl-phenyl)-1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(furan-2-ylmethyl)thiourea Openeye Name: 3-(3-chloro-2-methyl-phenyl)-1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(2-furylmethyl)thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1-[3-(4-ethyl-1-piperazinyl)propyl]-1-(2-furanylmethyl)thiourea IUPAC Name: 3-(3-chloro-2-methylphenyl)-1-[3-(4-ethylpiperazin-1-yl)propyl]-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-(3-chloro-2-methyl-phenyl)-1-[3-(4-ethylpiperazino)propyl]-1-(2-furfuryl)thiourea Formula: C22H31ClN4OS MolecularWeight: 435.02574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C22H31ClN4OS/c1-3-25-12-14-26(15-13-25)10-6-11-27(17-19-7-5-16-28-19)22(29)24-21-9-4-8-20(23)18(21)2/h4-5,7-9,16H,3,6,10-15,17H2,1-2H3,(H,24,29)