1-methyl-3-(phenylmethyl)-1-[3-(3,4,5-trimethoxyphenyl)propanoylamino]thiourea

Systemtic Name: 1-methyl-3-(phenylmethyl)-1-[3-(3,4,5-trimethoxyphenyl)propanoylamino]thiourea Openeye Name: 3-benzyl-1-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoylamino]thiourea CAS Name: 1-methyl-1-[[1-oxo-3-(3,4,5-trimethoxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoylamino]thiourea Traditional Name: 3-benzyl-1-methyl-1-[3-(3,4,5-trimethoxyphenyl)propanoylamino]thiourea Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H27N3O4S/c1-24(21(29)22-14-15-8-6-5-7-9-15)23-19(25)11-10-16-12-17(26-2)20(28-4)18(13-16)27-3/h5-9,12-13H,10-11,14H2,1-4H3,(H,22,29)(H,23,25)