3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(2-piperidin-1-ylethyl)thiourea

Systemtic Name: 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(2-piperidin-1-ylethyl)thiourea Openeye Name: 3-(3,5-dimethylphenyl)-1-(2-furylmethyl)-1-[2-(1-piperidyl)ethyl]thiourea CAS Name: 3-(3,5-dimethylphenyl)-1-(2-furanylmethyl)-1-[2-(1-piperidinyl)ethyl]thiourea IUPAC Name: 3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(2-piperidin-1-ylethyl)thiourea Traditional Name: 3-(3,5-dimethylphenyl)-1-(2-furfuryl)-1-(2-piperidinoethyl)thiourea Formula: C21H29N3OS MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3)C

InChI

InChI=1S/C21H29N3OS/c1-17-13-18(2)15-19(14-17)22-21(26)24(16-20-7-6-12-25-20)11-10-23-8-4-3-5-9-23/h6-7,12-15H,3-5,8-11,16H2,1-2H3,(H,22,26)