(NE)-N-[azanyl(phenyl)methylidene]-4-(1-benzothiophen-2-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: (NE)-N-[azanyl(phenyl)methylidene]-4-(1-benzothiophen-2-ylcarbonyl)piperazine-1-carboxamide Openeye Name: (NE)-N-[amino(phenyl)methylene]-4-(benzothiophene-2-carbonyl)piperazine-1-carboxamide CAS Name: (NE)-N-[amino(phenyl)methylidene]-4-[1-benzothiophen-2-yl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: (NE)-N-[amino(phenyl)methylidene]-4-(1-benzothiophene-2-carbonyl)piperazine-1-carboxamide Traditional Name: (NE)-N-[amino(phenyl)methylene]-4-(benzothiophene-2-carbonyl)piperazine-1-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3S2)C(=O)N=C(C4=CC=CC=C4)N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=CC=CC=C3S2)C(=O)/N=C(\C4=CC=CC=C4)/N

InChI

InChI=1S/C21H20N4O2S/c22-19(15-6-2-1-3-7-15)23-21(27)25-12-10-24(11-13-25)20(26)18-14-16-8-4-5-9-17(16)28-18/h1-9,14H,10-13H2,(H2,22,23,27)