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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-[4-(1,3-benzoxazol-2-yl)phenyl]propanamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C29H24N4O2S2 MolecularWeight: 524.65646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)SC4=CC=C(C=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)SC4=CC=C(C=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C29H24N4O2S2/c1-19(37-24-17-15-23(16-18-24)32-29(36)31-21-7-3-2-4-8-21)27(34)30-22-13-11-20(12-14-22)28-33-25-9-5-6-10-26(25)35-28/h2-19H,1H3,(H,30,34)(H2,31,32,36)