1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(dimethylamino)-3-phenyl-propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(dimethylamino)-3-phenyl-propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(dimethylamino)-3-phenyl-propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2R)-2-(dimethylamino)-3-phenylpropyl]thiourea Traditional Name: 1-[(2R)-2-(dimethylamino)-3-phenyl-propyl]-3-piperonyl-thiourea Formula: C20H25N3O2S MolecularWeight: 371.4964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CC=CC=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)[C@H](CC1=CC=CC=C1)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H25N3O2S/c1-23(2)17(10-15-6-4-3-5-7-15)13-22-20(26)21-12-16-8-9-18-19(11-16)25-14-24-18/h3-9,11,17H,10,12-14H2,1-2H3,(H2,21,22,26)/t17-/m1/s1