N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-(2-pyrazinyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide Formula: C19H25N5OS MolecularWeight: 371.4997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)N2CCN(CC2)C3=NC=CN=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)N2CCN(CC2)C3=NC=CN=C3)C

InChI

InChI=1S/C19H25N5OS/c1-15-3-4-17(13-16(15)2)26-12-7-22-19(25)24-10-8-23(9-11-24)18-14-20-5-6-21-18/h3-6,13-14H,7-12H2,1-2H3,(H,22,25)