1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(2-furylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(2-furanylmethyl)-1-[3-(4-methyl-1-piperazinyl)propyl]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(2-furfuryl)-1-[3-(4-methylpiperazino)propyl]-3-(4-phenoxyphenyl)thiourea Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCCN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-28-16-18-29(19-17-28)14-6-15-30(21-25-9-5-20-31-25)26(33)27-22-10-12-24(13-11-22)32-23-7-3-2-4-8-23/h2-5,7-13,20H,6,14-19,21H2,1H3,(H,27,33)