N-(2,3-dimethylquinoxalin-6-yl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dimethylquinoxalin-6-yl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dimethylquinoxalin-6-yl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(2,3-dimethyl-6-quinoxalinyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dimethylquinoxalin-6-yl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dimethylquinoxalin-6-yl)-4-phenyl-piperazine-1-carbothioamide Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4)N=C1C

InChI

InChI=1S/C21H23N5S/c1-15-16(2)23-20-14-17(8-9-19(20)22-15)24-21(27)26-12-10-25(11-13-26)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3,(H,24,27)