1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluorophenyl)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-fluorophenyl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-fluorophenyl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-fluorophenyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(3-fluorophenyl)acetyl]amino]thiourea Traditional Name: 1-[[2-(3-fluorophenyl)acetyl]amino]-3-piperonyl-thiourea Formula: C17H16FN3O3S MolecularWeight: 361.390643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CC3=CC(=CC=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CC3=CC(=CC=C3)F

InChI

InChI=1S/C17H16FN3O3S/c18-13-3-1-2-11(6-13)8-16(22)20-21-17(25)19-9-12-4-5-14-15(7-12)24-10-23-14/h1-7H,8-10H2,(H,20,22)(H2,19,21,25)