4-heptoxy-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C27H37N3O4S/c1-4-5-6-7-8-18-33-23-13-9-21(10-14-23)25(31)28-27(35)30-29-26(32)22-11-15-24(16-12-22)34-19-17-20(2)3/h9-16,20H,4-8,17-19H2,1-3H3,(H,29,32)(H2,28,30,31,35)