N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenyl-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C34H26N4O2S2 MolecularWeight: 586.72584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)SC5=CC=CC(=C5)NC(=S)NC6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)SC5=CC=CC(=C5)NC(=S)NC6=CC=CC=C6

InChI

InChI=1S/C34H26N4O2S2/c39-32(35-26-20-18-24(19-21-26)33-38-29-16-7-8-17-30(29)40-33)31(23-10-3-1-4-11-23)42-28-15-9-14-27(22-28)37-34(41)36-25-12-5-2-6-13-25/h1-22,31H,(H,35,39)(H2,36,37,41)