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

Systemtic Name: N-[4-oxidanylidene-4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]butyl]thiophene-3-carboxamide Openeye Name: N-[4-oxo-4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]butyl]thiophene-3-carboxamide CAS Name: N-[4-oxo-4-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]amino]butyl]-3-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[(3-pyrrolidin-1-ylquinoxalin-2-yl)amino]butyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[(3-pyrrolidinoquinoxalin-2-yl)amino]butyl]thiophene-3-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=CSC=C4

Isomeric SMILES

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

InChI

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