2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)propanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)propionamide Formula: C23H17N3O2S2 MolecularWeight: 431.52998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C#N)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C#N)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H17N3O2S2/c1-13(29-23-25-18-8-4-5-9-19(18)28-23)21(27)26-22-17(12-24)16-11-10-14-6-2-3-7-15(14)20(16)30-22/h2-9,13H,10-11H2,1H3,(H,26,27)