1-(3a,4-dimethyl-7aH-1,3-benzothiazol-2-yl)-3-(2-fluoranyl-2-phenyl-ethyl)thiourea

Systemtic Name: 1-(3a,4-dimethyl-7aH-1,3-benzothiazol-2-yl)-3-(2-fluoranyl-2-phenyl-ethyl)thiourea Openeye Name: 1-(3a,4-dimethyl-7aH-1,3-benzothiazol-2-yl)-3-(2-fluoro-2-phenyl-ethyl)thiourea CAS Name: 1-(3a,4-dimethyl-7aH-1,3-benzothiazol-2-yl)-3-(2-fluoro-2-phenylethyl)thiourea IUPAC Name: 1-(3a,4-dimethyl-7aH-1,3-benzothiazol-2-yl)-3-(2-fluoro-2-phenylethyl)thiourea Traditional Name: 1-(3a,4-dimethyl-7aH-1,3-benzothiazol-2-yl)-3-(2-fluoro-2-phenyl-ethyl)thiourea Formula: C18H20FN3S2 MolecularWeight: 361.499903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2C1(N=C(S2)NC(=S)NCC(C3=CC=CC=C3)F)C

Isomeric SMILES

CC1=CC=CC2C1(N=C(S2)NC(=S)NCC(C3=CC=CC=C3)F)C

InChI

InChI=1S/C18H20FN3S2/c1-12-7-6-10-15-18(12,2)22-17(24-15)21-16(23)20-11-14(19)13-8-4-3-5-9-13/h3-10,14-15H,11H2,1-2H3,(H2,20,21,22,23)