1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-methylsulfanylphenyl)thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-(2-furylmethyl)-1-[3-(3-methyl-1-piperidyl)propyl]-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-(2-furanylmethyl)-1-[3-(3-methyl-1-piperidinyl)propyl]-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-(2-furfuryl)-1-[3-(3-methylpiperidino)propyl]-3-[3-(methylthio)phenyl]thiourea Formula: C22H31N3OS2 MolecularWeight: 417.63104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1CCCN(C1)CCCN(CC2=CC=CO2)C(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H31N3OS2/c1-18-7-4-11-24(16-18)12-6-13-25(17-20-9-5-14-26-20)22(27)23-19-8-3-10-21(15-19)28-2/h3,5,8-10,14-15,18H,4,6-7,11-13,16-17H2,1-2H3,(H,23,27)