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

Systemtic Name: 3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Openeye Name: 3-(2-ethylphenyl)-1-(2-furylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea CAS Name: 3-(2-ethylphenyl)-1-(2-furanylmethyl)-1-[3-(4-methyl-1-piperazinyl)propyl]thiourea IUPAC Name: 3-(2-ethylphenyl)-1-(furan-2-ylmethyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea Traditional Name: 3-(2-ethylphenyl)-1-(2-furfuryl)-1-[3-(4-methylpiperazino)propyl]thiourea Formula: C22H32N4OS MolecularWeight: 400.58068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CO3

InChI

InChI=1S/C22H32N4OS/c1-3-19-8-4-5-10-21(19)23-22(28)26(18-20-9-6-17-27-20)12-7-11-25-15-13-24(2)14-16-25/h4-6,8-10,17H,3,7,11-16,18H2,1-2H3,(H,23,28)