1-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-ylthio)propanoylamino]-3-(2-fluorophenyl)thiourea Formula: C17H15FN4OS3 MolecularWeight: 406.520603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCC(=O)NNC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C17H15FN4OS3/c18-11-5-1-2-6-12(11)19-16(24)22-21-15(23)9-10-25-17-20-13-7-3-4-8-14(13)26-17/h1-8H,9-10H2,(H,21,23)(H2,19,22,24)