4-(diethylamino)-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 4-(diethylamino)-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 4-(diethylamino)-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 4-(diethylamino)-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 4-(diethylamino)-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 4-(diethylamino)-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4OS/c1-3-24(4-2)20-12-10-18(11-13-20)21(27)23-22(28)26-16-14-25(15-17-26)19-8-6-5-7-9-19/h5-13H,3-4,14-17H2,1-2H3,(H,23,27,28)