N-(2-methoxy-5-phenyl-phenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-phenyl-phenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-phenyl-phenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-phenylphenyl)-4-(2-pyrazinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-phenylphenyl)-4-pyrazin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-phenyl-phenyl)-4-pyrazin-2-yl-piperazine-1-carbothioamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C22H23N5OS/c1-28-20-8-7-18(17-5-3-2-4-6-17)15-19(20)25-22(29)27-13-11-26(12-14-27)21-16-23-9-10-24-21/h2-10,15-16H,11-14H2,1H3,(H,25,29)