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

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

Isomeric SMILES

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

InChI

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