1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[(4S)-6-fluorothiochroman-4-yl]thiourea Formula: C18H18ClFN2S2 MolecularWeight: 380.930323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClFN2S2/c1-10-7-11(2)17(14(19)8-10)22-18(23)21-15-5-6-24-16-4-3-12(20)9-13(15)16/h3-4,7-9,15H,5-6H2,1-2H3,(H2,21,22,23)/t15-/m0/s1