1-[6-bromanyl-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-1-methyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[6-bromanyl-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-1-methyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-[6-bromo-3-(hydroxymethyl)chroman-4-yl]-1-methyl-3-(4-nitrophenyl)thiourea CAS Name: 1-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1-methyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[6-bromo-3-(hydroxymethyl)-3,4-dihydro-2H-chromen-4-yl]-1-methyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-(6-bromo-3-methylol-chroman-4-yl)-1-methyl-3-(4-nitrophenyl)thiourea Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(COC2=C1C=C(C=C2)Br)CO)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1C(COC2=C1C=C(C=C2)Br)CO)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O4S/c1-21(18(27)20-13-3-5-14(6-4-13)22(24)25)17-11(9-23)10-26-16-7-2-12(19)8-15(16)17/h2-8,11,17,23H,9-10H2,1H3,(H,20,27)