2-azanyl-N-butyl-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-butyl-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-butyl-1-[(E)-2-thienylmethyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-butyl-1-[(E)-thiophen-2-ylmethylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-butyl-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-butyl-1-[(E)-2-thenylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)N=CC4=CC=CS4)N

Isomeric SMILES

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)/N=C/C4=CC=CS4)N

InChI

InChI=1S/C20H20N6OS/c1-2-3-10-22-20(27)16-17-19(25-15-9-5-4-8-14(15)24-17)26(18(16)21)23-12-13-7-6-11-28-13/h4-9,11-12H,2-3,10,21H2,1H3,(H,22,27)/b23-12+