4-heptoxy-N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]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)COC2=C(C=CC(=C2)C)C(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=C(C=CC(=C2)C)C(C)C

InChI

InChI=1S/C27H37N3O4S/c1-5-6-7-8-9-16-33-22-13-11-21(12-14-22)26(32)28-27(35)30-29-25(31)18-34-24-17-20(4)10-15-23(24)19(2)3/h10-15,17,19H,5-9,16,18H2,1-4H3,(H,29,31)(H2,28,30,32,35)