1-carbamimidoyl-1-(2,6-diethylphenyl)-3-(2-phenylmethoxyethyl)thiourea

Systemtic Name: 1-carbamimidoyl-1-(2,6-diethylphenyl)-3-(2-phenylmethoxyethyl)thiourea Openeye Name: 3-(2-benzyloxyethyl)-1-carbamimidoyl-1-(2,6-diethylphenyl)thiourea CAS Name: 1-carbamimidoyl-1-(2,6-diethylphenyl)-3-(2-phenylmethoxyethyl)thiourea IUPAC Name: 1-carbamimidoyl-1-(2,6-diethylphenyl)-3-(2-phenylmethoxyethyl)thiourea Traditional Name: 1-amidino-3-(2-benzoxyethyl)-1-(2,6-diethylphenyl)thiourea Formula: C21H28N4OS MolecularWeight: 384.53822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N(C(=N)N)C(=S)NCCOCC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N(C(=N)N)C(=S)NCCOCC2=CC=CC=C2

InChI

InChI=1S/C21H28N4OS/c1-3-17-11-8-12-18(4-2)19(17)25(20(22)23)21(27)24-13-14-26-15-16-9-6-5-7-10-16/h5-12H,3-4,13-15H2,1-2H3,(H3,22,23)(H,24,27)