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

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-4-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=C(C=C2)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-4-5-6-7-17-32-22-14-10-21(11-15-22)25(31)28-29-26(34)27-24(30)20-8-12-23(13-9-20)33-18-16-19(2)3/h8-15,19H,4-7,16-18H2,1-3H3,(H,28,31)(H2,27,29,30,34)