N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[2-(4-methoxyphenyl)ethanoylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[2-(4-methoxyphenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[[2-(4-methoxyphenyl)acetyl]amino]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-31-21-12-10-19(11-13-21)16-23(29)27-28-25(33)26-24(30)20-8-5-9-22(17-20)32-15-14-18-6-3-2-4-7-18/h2-13,17H,14-16H2,1H3,(H,27,29)(H2,26,28,30,33)