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

Systemtic Name: 4-heptoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide Traditional Name: 4-heptoxy-N-(p-anisylthiocarbamoyl)benzamide Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C23H30N2O3S/c1-3-4-5-6-7-16-28-21-14-10-19(11-15-21)22(26)25-23(29)24-17-18-8-12-20(27-2)13-9-18/h8-15H,3-7,16-17H2,1-2H3,(H2,24,25,26,29)