2-[4-(4-dimethylaminophenyl)carbothioylpiperazin-1-yl]-N-ethyl-pyridine-3-carboxamide

Systemtic Name: 2-[4-(4-dimethylaminophenyl)carbothioylpiperazin-1-yl]-N-ethyl-pyridine-3-carboxamide Openeye Name: 2-[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]-N-ethyl-pyridine-3-carboxamide CAS Name: 2-[4-[(4-dimethylaminophenyl)-sulfanylidenemethyl]-1-piperazinyl]-N-ethyl-3-pyridinecarboxamide IUPAC Name: 2-[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]-N-ethylpyridine-3-carboxamide Traditional Name: 2-[4-[4-(dimethylamino)thiobenzoyl]piperazino]-N-ethyl-nicotinamide Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=S)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCNC(=O)C1=C(N=CC=C1)N2CCN(CC2)C(=S)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H27N5OS/c1-4-22-20(27)18-6-5-11-23-19(18)25-12-14-26(15-13-25)21(28)16-7-9-17(10-8-16)24(2)3/h5-11H,4,12-15H2,1-3H3,(H,22,27)