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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)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]acetamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C28H22N4O2S2 MolecularWeight: 510.62988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C28H22N4O2S2/c33-26(29-21-15-13-19(14-16-21)27-32-24-11-4-5-12-25(24)34-27)18-36-23-10-6-9-22(17-23)31-28(35)30-20-7-2-1-3-8-20/h1-17H,18H2,(H,29,33)(H2,30,31,35)