4-hexoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide Traditional Name: 4-hexoxy-N-(p-anisylthiocarbamoyl)benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28N2O3S/c1-3-4-5-6-15-27-20-13-9-18(10-14-20)21(25)24-22(28)23-16-17-7-11-19(26-2)12-8-17/h7-14H,3-6,15-16H2,1-2H3,(H2,23,24,25,28)