3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(1-methylpiperidin-4-yl)thiourea

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(1-methylpiperidin-4-yl)thiourea Openeye Name: 3-(3,4-dimethylphenyl)-1-(2-furylmethyl)-1-(1-methyl-4-piperidyl)thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-(2-furanylmethyl)-1-(1-methyl-4-piperidinyl)thiourea IUPAC Name: 3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(1-methylpiperidin-4-yl)thiourea Traditional Name: 3-(3,4-dimethylphenyl)-1-(2-furfuryl)-1-(1-methyl-4-piperidyl)thiourea Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=CO2)C3CCN(CC3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=CO2)C3CCN(CC3)C)C

InChI

InChI=1S/C20H27N3OS/c1-15-6-7-17(13-16(15)2)21-20(25)23(14-19-5-4-12-24-19)18-8-10-22(3)11-9-18/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,21,25)