2-[4-[(5-bromanyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]ethanamide; hexanoic acid

Systemtic Name: 2-[4-[(5-bromanyl-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]ethanamide; hexanoic acid Openeye Name: 2-[4-[(5-bromo-2,4-dimethoxy-phenyl)carbamothioylamino]phenyl]acetamide; hexanoic acid CAS Name: 2-[4-[[(5-bromo-2,4-dimethoxyanilino)-sulfanylidenemethyl]amino]phenyl]acetamide; hexanoic acid IUPAC Name: 2-[4-[(5-bromo-2,4-dimethoxyphenyl)carbamothioylamino]phenyl]acetamide; hexanoic acid Traditional Name: 2-[4-[(5-bromo-2,4-dimethoxy-phenyl)thiocarbamoylamino]phenyl]acetamide; hexanoic acid Formula: C23H30BrN3O5S MolecularWeight: 540.4704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)O.COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)CC(=O)N)Br)OC

Isomeric SMILES

CCCCCC(=O)O.COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)CC(=O)N)Br)OC

InChI

InChI=1S/C17H18BrN3O3S.C6H12O2/c1-23-14-9-15(24-2)13(8-12(14)18)21-17(25)20-11-5-3-10(4-6-11)7-16(19)22;1-2-3-4-5-6(7)8/h3-6,8-9H,7H2,1-2H3,(H2,19,22)(H2,20,21,25);2-5H2,1H3,(H,7,8)