1-(2-methoxy-4-nitro-phenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[4-(1-piperidylmethyl)phenyl]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[4-(1-piperidinylmethyl)phenyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[4-(piperidinomethyl)phenyl]thiourea Formula: C20H24N4O3S MolecularWeight: 400.49456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C20H24N4O3S/c1-27-19-13-17(24(25)26)9-10-18(19)22-20(28)21-16-7-5-15(6-8-16)14-23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H2,21,22,28)