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

Systemtic Name: 1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Openeye Name: 1-(2-furylmethyl)-3-(3-methoxyphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea CAS Name: 1-(2-furanylmethyl)-3-(3-methoxyphenyl)-1-[3-(4-methyl-1-piperazinyl)propyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Traditional Name: 1-(2-furfuryl)-3-(3-methoxyphenyl)-1-[3-(4-methylpiperazino)propyl]thiourea Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-23-11-13-24(14-12-23)9-5-10-25(17-20-8-4-15-27-20)21(28)22-18-6-3-7-19(16-18)26-2/h3-4,6-8,15-16H,5,9-14,17H2,1-2H3,(H,22,28)