1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorobenzyl)thiourea Formula: C17H16FN3S2 MolecularWeight: 345.457443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3S2/c1-10-7-14-15(8-11(10)2)23-17(20-14)21-16(22)19-9-12-3-5-13(18)6-4-12/h3-8H,9H2,1-2H3,(H2,19,20,21,22)