4-(4-methylpiperazin-1-yl)benzenecarbothioamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)benzenecarbothioamide Openeye Name: 4-(4-methylpiperazin-1-yl)benzenecarbothioamide CAS Name: 4-(4-methyl-1-piperazinyl)benzenecarbothioamide IUPAC Name: 4-(4-methylpiperazin-1-yl)benzenecarbothioamide Traditional Name: 4-(4-methylpiperazino)thiobenzamide Formula: C12H17N3S MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C12H17N3S/c1-14-6-8-15(9-7-14)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16)