3-[4-[(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)carbonyl]piperazin-1-yl]benzamide

Systemtic Name: 3-[4-[(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)carbonyl]piperazin-1-yl]benzamide Openeye Name: 3-[4-(5-phenyl-2-thioxo-1,3-dihydroimidazole-4-carbonyl)piperazin-1-yl]benzamide CAS Name: 3-[4-[oxo-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]-1-piperazinyl]benzamide IUPAC Name: 3-[4-(5-phenyl-2-sulfanylidene-1,3-dihydroimidazole-4-carbonyl)piperazin-1-yl]benzamide Traditional Name: 3-[4-(5-phenyl-2-thioxo-4-imidazoline-4-carbonyl)piperazino]benzamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(=O)N)C(=O)C3=C(NC(=S)N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(=O)N)C(=O)C3=C(NC(=S)N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c22-19(27)15-7-4-8-16(13-15)25-9-11-26(12-10-25)20(28)18-17(23-21(29)24-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H2,22,27)(H2,23,24,29)