N-(2,3-dimethylquinoxalin-6-yl)-3-phenyl-pyrrolidine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylquinoxalin-6-yl)-3-phenyl-pyrrolidine-1-carbothioamide Openeye Name: N-(2,3-dimethylquinoxalin-6-yl)-3-phenyl-pyrrolidine-1-carbothioamide CAS Name: N-(2,3-dimethyl-6-quinoxalinyl)-3-phenyl-1-pyrrolidinecarbothioamide IUPAC Name: N-(2,3-dimethylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carbothioamide Traditional Name: N-(2,3-dimethylquinoxalin-6-yl)-3-phenyl-pyrrolidine-1-carbothioamide Formula: C21H22N4S MolecularWeight: 362.49118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=S)N3CCC(C3)C4=CC=CC=C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=S)N3CCC(C3)C4=CC=CC=C4)N=C1C

InChI

InChI=1S/C21H22N4S/c1-14-15(2)23-20-12-18(8-9-19(20)22-14)24-21(26)25-11-10-17(13-25)16-6-4-3-5-7-16/h3-9,12,17H,10-11,13H2,1-2H3,(H,24,26)