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

Systemtic Name: 2-azanyl-N-(3-methylbutyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-isopentyl-1-[(E)-2-thienylmethyleneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(3-methylbutyl)-1-[(E)-thiophen-2-ylmethylideneamino]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(3-methylbutyl)-1-[(E)-thiophen-2-ylmethylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-isoamyl-1-[(E)-2-thenylideneamino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6OS/c1-13(2)9-10-23-21(28)17-18-20(26-16-8-4-3-7-15(16)25-18)27(19(17)22)24-12-14-6-5-11-29-14/h3-8,11-13H,9-10,22H2,1-2H3,(H,23,28)/b24-12+