3-(3-methylbutoxy)-N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-(3-methylbutoxy)-N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(3-methylbutoxy)-N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-isoamoxy-N-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O4S/c1-19(2)15-16-33-24-10-6-9-22(17-24)26(32)28-27(35)30-29-25(31)18-34-23-13-11-21(12-14-23)20-7-4-3-5-8-20/h3-14,17,19H,15-16,18H2,1-2H3,(H,29,31)(H2,28,30,32,35)