N-[4-oxidanylidene-4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]butyl]thiophene-2-carboxamide Openeye Name: N-[4-oxo-4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]butyl]thiophene-2-carboxamide CAS Name: N-[4-oxo-4-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]amino]butyl]-2-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]butyl]thiophene-2-carboxamide Traditional Name: N-[4-keto-4-[(3-pyrrolidinoquinoxalin-2-yl)amino]butyl]thiophene-2-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)CCCNC(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3N=C2NC(=O)CCCNC(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N5O2S/c27-18(10-5-11-22-21(28)17-9-6-14-29-17)25-19-20(26-12-3-4-13-26)24-16-8-2-1-7-15(16)23-19/h1-2,6-9,14H,3-5,10-13H2,(H,22,28)(H,23,25,27)