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

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O4S/c1-2-3-4-8-19-35-25-16-14-23(15-17-25)28(34)31-32-29(37)30-27(33)24-12-9-13-26(21-24)36-20-18-22-10-6-5-7-11-22/h5-7,9-17,21H,2-4,8,18-20H2,1H3,(H,31,34)(H2,30,32,33,37)