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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C22H18N4OS3 MolecularWeight: 450.59952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N4OS3/c27-20(26-22-25-18-8-4-5-9-19(18)30-22)14-29-17-12-10-16(11-13-17)24-21(28)23-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24,28)(H,25,26,27)