N-cycloheptyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-cycloheptyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-cycloheptyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-cycloheptyl-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: N-cycloheptyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-cycloheptyl-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]acetamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3N=C2N4CCCC4

InChI

InChI=1S/C21H28N4OS/c26-19(22-16-9-3-1-2-4-10-16)15-27-21-20(25-13-7-8-14-25)23-17-11-5-6-12-18(17)24-21/h5-6,11-12,16H,1-4,7-10,13-15H2,(H,22,26)