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

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-4-heptoxy-benzamide Formula: C30H34ClN3O4S MolecularWeight: 568.12666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

InChI

InChI=1S/C30H34ClN3O4S/c1-3-4-5-6-9-20-37-25-18-12-22(13-19-25)29(36)34-30(39)33-24-16-14-23(15-17-24)32-28(35)21(2)38-27-11-8-7-10-26(27)31/h7-8,10-19,21H,3-6,9,20H2,1-2H3,(H,32,35)(H2,33,34,36,39)