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

Systemtic Name: 1-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(4S)-6-fluorothiochroman-4-yl]thiourea CAS Name: 1-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]thiourea Traditional Name: 1-benzyl-3-[(4S)-6-fluorothiochroman-4-yl]thiourea Formula: C17H17FN2S2 MolecularWeight: 332.458683

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=S)NCC3=CC=CC=C3)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=S)NCC3=CC=CC=C3)C=C(C=C2)F

InChI

InChI=1S/C17H17FN2S2/c18-13-6-7-16-14(10-13)15(8-9-22-16)20-17(21)19-11-12-4-2-1-3-5-12/h1-7,10,15H,8-9,11H2,(H2,19,20,21)/t15-/m0/s1