N-(4-butoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]propanamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propionamide Formula: C27H31N3O2S2 MolecularWeight: 493.68394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C27H31N3O2S2/c1-4-5-17-32-24-15-13-21(14-16-24)28-26(31)20(3)34-25-8-6-7-23(18-25)30-27(33)29-22-11-9-19(2)10-12-22/h6-16,18,20H,4-5,17H2,1-3H3,(H,28,31)(H2,29,30,33)