1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[3-(1,3-benzothiazol-2-yl)propanoylamino]-3-(4-fluorobenzyl)thiourea Formula: C18H17FN4OS2 MolecularWeight: 388.482183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NNC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NNC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN4OS2/c19-13-7-5-12(6-8-13)11-20-18(25)23-22-16(24)9-10-17-21-14-3-1-2-4-15(14)26-17/h1-8H,9-11H2,(H,22,24)(H2,20,23,25)