3-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(1,3-benzoxazol-2-ylthio)-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H21N3O2S2/c26-15-19-18-11-10-17(16-6-2-1-3-7-16)14-22(18)32-24(19)28-23(29)12-13-31-25-27-20-8-4-5-9-21(20)30-25/h1-9,17H,10-14H2,(H,28,29)