1-(4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea

Systemtic Name: 1-(4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea Openeye Name: 1-[3-(4-phenylpiperazin-1-yl)propanoylamino]-3-(p-tolyl)thiourea CAS Name: 1-(4-methylphenyl)-3-[[1-oxo-3-(4-phenyl-1-piperazinyl)propyl]amino]thiourea IUPAC Name: 1-(4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]thiourea Traditional Name: 1-[3-(4-phenylpiperazino)propanoylamino]-3-(p-tolyl)thiourea Formula: C21H27N5OS MolecularWeight: 397.53698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=O)CCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N5OS/c1-17-7-9-18(10-8-17)22-21(28)24-23-20(27)11-12-25-13-15-26(16-14-25)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,23,27)(H2,22,24,28)