1-[[(2S)-2-(6-bromanyl-4H-1,3-benzodioxin-8-yl)-6-methoxy-2H-chromen-4-yl]amino]thiourea

Systemtic Name: 1-[[(2S)-2-(6-bromanyl-4H-1,3-benzodioxin-8-yl)-6-methoxy-2H-chromen-4-yl]amino]thiourea Openeye Name: [[(2S)-2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-methoxy-2H-chromen-4-yl]amino]thiourea CAS Name: [[(2S)-2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-methoxy-2H-1-benzopyran-4-yl]amino]thiourea IUPAC Name: [[(2S)-2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-methoxy-2H-chromen-4-yl]amino]thiourea Traditional Name: [[(2S)-2-(6-bromo-4H-1,3-benzodioxin-8-yl)-6-methoxy-2H-chromen-4-yl]amino]thiourea Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(C=C2NNC(=S)N)C3=C4C(=CC(=C3)Br)COCO4

Isomeric SMILES

COC1=CC2=C(C=C1)O[C@@H](C=C2NNC(=S)N)C3=C4C(=CC(=C3)Br)COCO4

InChI

InChI=1S/C19H18BrN3O4S/c1-24-12-2-3-16-13(6-12)15(22-23-19(21)28)7-17(27-16)14-5-11(20)4-10-8-25-9-26-18(10)14/h2-7,17,22H,8-9H2,1H3,(H3,21,23,28)/t17-/m0/s1