1-(3,5-dimethylphenyl)-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea CAS Name: 1-(3,5-dimethylphenyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]thiourea Traditional Name: 1-(3,5-dimethylphenyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea Formula: C18H19FN2S2 MolecularWeight: 346.485263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2CCSC3=C2C=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N[C@H]2CCSC3=C2C=C(C=C3)F)C

InChI

InChI=1S/C18H19FN2S2/c1-11-7-12(2)9-14(8-11)20-18(22)21-16-5-6-23-17-4-3-13(19)10-15(16)17/h3-4,7-10,16H,5-6H2,1-2H3,(H2,20,21,22)/t16-/m0/s1