6-bromanyl-3-(4-heptylphenyl)-4-sulfanylidene-1,3-benzoxazin-2-one

Systemtic Name: 6-bromanyl-3-(4-heptylphenyl)-4-sulfanylidene-1,3-benzoxazin-2-one Openeye Name: 6-bromo-3-(4-heptylphenyl)-4-thioxo-1,3-benzoxazin-2-one CAS Name: 6-bromo-3-(4-heptylphenyl)-4-sulfanylidene-1,3-benzoxazin-2-one IUPAC Name: 6-bromo-3-(4-heptylphenyl)-4-sulfanylidene-1,3-benzoxazin-2-one Traditional Name: 6-bromo-3-(4-heptylphenyl)-4-thioxo-1,3-benzoxazin-2-one Formula: C21H22BrNO2S MolecularWeight: 432.37388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C21H22BrNO2S/c1-2-3-4-5-6-7-15-8-11-17(12-9-15)23-20(26)18-14-16(22)10-13-19(18)25-21(23)24/h8-14H,2-7H2,1H3