N-(4-butoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-butoxyphenyl)butanamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C27H31N3O2S2 MolecularWeight: 493.68394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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