1-(1,3-benzothiazol-2-ylmethyl)-3-(3-fluoranyl-4-methyl-phenyl)-1-methyl-thiourea

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-fluoranyl-4-methyl-phenyl)-1-methyl-thiourea Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-fluoro-4-methyl-phenyl)-1-methyl-thiourea CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-fluoro-4-methylphenyl)-1-methylthiourea IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-fluoro-4-methylphenyl)-1-methylthiourea Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)-3-(3-fluoro-4-methyl-phenyl)-1-methyl-thiourea Formula: C17H16FN3S2 MolecularWeight: 345.457443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=NC3=CC=CC=C3S2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=NC3=CC=CC=C3S2)F

InChI

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