1-[(4-fluorophenyl)methyl]-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea Traditional Name: 1-(4-fluorobenzyl)-3-(2-methyl-1,3-benzothiazol-6-yl)thiourea Formula: C16H14FN3S2 MolecularWeight: 331.430863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN3S2/c1-10-19-14-7-6-13(8-15(14)22-10)20-16(21)18-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H2,18,20,21)