1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(3-methylphenoxy)ethanoylamino]thiourea

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[2-(3-methylphenoxy)ethanoylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(3-methylphenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea Traditional Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea Formula: C17H25N3O2S MolecularWeight: 335.4643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=O)COC2=CC=CC(=C2)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)COC2=CC=CC(=C2)C

InChI

InChI=1S/C17H25N3O2S/c1-12-6-5-8-14(10-12)22-11-16(21)19-20-17(23)18-15-9-4-3-7-13(15)2/h5-6,8,10,13,15H,3-4,7,9,11H2,1-2H3,(H,19,21)(H2,18,20,23)/t13-,15-/m0/s1