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

Systemtic Name: N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O5S/c1-20(2)15-16-34-24-13-11-21(12-14-24)27(33)30-31-28(37)29-26(32)22-7-6-10-25(19-22)36-18-17-35-23-8-4-3-5-9-23/h3-14,19-20H,15-18H2,1-2H3,(H,30,33)(H2,29,31,32,37)