N-[[2-[4-(4-cyanophenyl)phenoxy]ethanoylamino]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[2-[4-(4-cyanophenyl)phenoxy]ethanoylamino]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[[2-[4-(4-cyanophenyl)phenoxy]acetyl]amino]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C29H30N4O6S MolecularWeight: 562.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C29H30N4O6S/c1-4-36-24-15-22(16-25(37-5-2)27(24)38-6-3)28(35)31-29(40)33-32-26(34)18-39-23-13-11-21(12-14-23)20-9-7-19(17-30)8-10-20/h7-16H,4-6,18H2,1-3H3,(H,32,34)(H2,31,33,35,40)