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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-[4-(1,3-benzoxazol-2-yl)phenyl]butanamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butyramide Formula: C30H26N4O2S2 MolecularWeight: 538.68304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H26N4O2S2/c1-2-27(38-24-12-8-11-23(19-24)33-30(37)32-21-9-4-3-5-10-21)28(35)31-22-17-15-20(16-18-22)29-34-25-13-6-7-14-26(25)36-29/h3-19,27H,2H2,1H3,(H,31,35)(H2,32,33,37)