1-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoranyl-2H-chromen-4-yl]amino]thiourea

Systemtic Name: 1-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoranyl-2H-chromen-4-yl]amino]thiourea Openeye Name: [[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoro-2H-chromen-4-yl]amino]thiourea CAS Name: [[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoro-2H-1-benzopyran-4-yl]amino]thiourea IUPAC Name: [[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoro-2H-chromen-4-yl]amino]thiourea Traditional Name: [[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-fluoro-2H-chromen-4-yl]amino]thiourea Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3C=C(C4=C(O3)C=CC(=C4)F)NNC(=S)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@@H]3C=C(C4=C(O3)C=CC(=C4)F)NNC(=S)N)OC1

InChI

InChI=1S/C19H18FN3O3S/c20-12-3-5-15-13(9-12)14(22-23-19(21)27)10-17(26-15)11-2-4-16-18(8-11)25-7-1-6-24-16/h2-5,8-10,17,22H,1,6-7H2,(H3,21,23,27)/t17-/m0/s1