1-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(3-fluoranyl-4-methyl-phenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCC2=NC3=CC=CC=C3S2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCC2=NC3=CC=CC=C3S2)F

InChI

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