3-bromanyl-N-[(3-hexoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[(3-hexoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[(3-hexoxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[(3-hexoxyanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[(3-hexoxyphenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(3-hexoxyphenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C28H31BrN2O3S MolecularWeight: 555.52634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H31BrN2O3S/c1-2-3-4-8-17-33-24-13-9-12-23(20-24)30-28(35)31-27(32)22-14-15-26(25(29)19-22)34-18-16-21-10-6-5-7-11-21/h5-7,9-15,19-20H,2-4,8,16-18H2,1H3,(H2,30,31,32,35)