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

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

InChI

InChI=1S/C26H35N3O4S/c1-4-5-6-9-17-32-21-14-12-20(13-15-21)24(30)28-29-26(34)27-25(31)22-10-7-8-11-23(22)33-18-16-19(2)3/h7-8,10-15,19H,4-6,9,16-18H2,1-3H3,(H,28,30)(H2,27,29,31,34)