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

Systemtic Name: 3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-yl)propyl]thiourea Openeye Name: 3-(2-ethylphenyl)-1-(2-furylmethyl)-1-[3-(3-methyl-1-piperidyl)propyl]thiourea CAS Name: 3-(2-ethylphenyl)-1-(2-furanylmethyl)-1-[3-(3-methyl-1-piperidinyl)propyl]thiourea IUPAC Name: 3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(3-methylpiperidin-1-yl)propyl]thiourea Traditional Name: 3-(2-ethylphenyl)-1-(2-furfuryl)-1-[3-(3-methylpiperidino)propyl]thiourea Formula: C23H33N3OS MolecularWeight: 399.59262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCCN2CCCC(C2)C)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCCN2CCCC(C2)C)CC3=CC=CO3

InChI

InChI=1S/C23H33N3OS/c1-3-20-10-4-5-12-22(20)24-23(28)26(18-21-11-7-16-27-21)15-8-14-25-13-6-9-19(2)17-25/h4-5,7,10-12,16,19H,3,6,8-9,13-15,17-18H2,1-2H3,(H,24,28)