1-(1,3-benzodioxol-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-(4-pyridylmethyl)thiourea Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N(CC2=CC=NC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N(CC2=CC=NC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O2S/c1-15-4-2-3-5-18(15)23-21(27)24(13-16-8-10-22-11-9-16)17-6-7-19-20(12-17)26-14-25-19/h6-12,15,18H,2-5,13-14H2,1H3,(H,23,27)/t15-,18-/m0/s1