N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-isobutoxy-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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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)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4S/c1-4-5-6-7-15-31-21-13-11-19(12-14-21)24(30)27-28-25(33)26-23(29)20-9-8-10-22(16-20)32-17-18(2)3/h8-14,16,18H,4-7,15,17H2,1-3H3,(H,27,30)(H2,26,28,29,33)