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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(1,3-benzothiazol-2-yl)-2-phenylacetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-phenyl-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C28H22N4OS3 MolecularWeight: 526.69548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=NC3=CC=CC=C3S2)SC4=CC=C(C=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=NC3=CC=CC=C3S2)SC4=CC=C(C=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C28H22N4OS3/c33-26(32-28-31-23-13-7-8-14-24(23)36-28)25(19-9-3-1-4-10-19)35-22-17-15-21(16-18-22)30-27(34)29-20-11-5-2-6-12-20/h1-18,25H,(H2,29,30,34)(H,31,32,33)