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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea Openeye Name: 1-(2,5-dimethylphenyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea CAS Name: 1-(2,5-dimethylphenyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]thiourea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]thiourea Traditional Name: 1-(2,5-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(=C(C=C1)C)NC(=S)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2S2/c1-11-3-4-12(2)16(9-11)21-18(22)20-15-7-8-23-17-6-5-13(19)10-14(15)17/h3-6,9-10,15H,7-8H2,1-2H3,(H2,20,21,22)/t15-/m0/s1