1-(phenylmethyl)-3-[3-(phenylmethylsulfanyl)propanoylamino]thiourea

Systemtic Name: 1-(phenylmethyl)-3-[3-(phenylmethylsulfanyl)propanoylamino]thiourea Openeye Name: 1-benzyl-3-(3-benzylsulfanylpropanoylamino)thiourea CAS Name: 1-[[1-oxo-3-(phenylmethylthio)propyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3-benzylsulfanylpropanoylamino)thiourea Traditional Name: 1-benzyl-3-[3-(benzylthio)propanoylamino]thiourea Formula: C18H21N3OS2 MolecularWeight: 359.50884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC(=O)CCSCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC(=O)CCSCC2=CC=CC=C2

InChI

InChI=1S/C18H21N3OS2/c22-17(11-12-24-14-16-9-5-2-6-10-16)20-21-18(23)19-13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,20,22)(H2,19,21,23)