1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[3-(1,3-benzodioxol-5-yl)propanoylamino]-3-(2-fluorophenyl)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)CCC(=O)NNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NNC(=S)NC3=CC=CC=C3F

InChI

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