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

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-1-methyl-thiourea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-1-methyl-thiourea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-1-methylthiourea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-[(4-fluorophenyl)methyl]-1-methylthiourea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(4-fluorobenzyl)-1-methyl-thiourea Formula: C17H16FN3S2 MolecularWeight: 345.457443

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3S2/c1-21(11-16-20-14-4-2-3-5-15(14)23-16)17(22)19-10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,22)