1-phenyl-3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]thiourea

Systemtic Name: 1-phenyl-3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]thiourea Openeye Name: 1-[3-(4-benzylpiperazin-1-yl)propanoylamino]-3-phenyl-thiourea CAS Name: 1-[[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]amino]-3-phenylthiourea IUPAC Name: 1-[3-(4-benzylpiperazin-1-yl)propanoylamino]-3-phenylthiourea Traditional Name: 1-[3-(4-benzylpiperazino)propanoylamino]-3-phenyl-thiourea Formula: C21H27N5OS MolecularWeight: 397.53698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NNC(=S)NC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)NNC(=S)NC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N5OS/c27-20(23-24-21(28)22-19-9-5-2-6-10-19)11-12-25-13-15-26(16-14-25)17-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,27)(H2,22,24,28)