N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C31H28ClN3O4S MolecularWeight: 574.08972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)OC4=CC=CC=C4Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)OC4=CC=CC=C4Cl

InChI

InChI=1S/C31H28ClN3O4S/c1-21(39-28-13-6-5-12-27(28)32)29(36)33-24-14-16-25(17-15-24)34-31(40)35-30(37)23-10-7-11-26(20-23)38-19-18-22-8-3-2-4-9-22/h2-17,20-21H,18-19H2,1H3,(H,33,36)(H2,34,35,37,40)