2-azanyl-1-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-N-(2-thienylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-N-(thiophen-2-ylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-[(3-ethoxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-N-(2-thenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C25H22N6O3S MolecularWeight: 486.54558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CS5)N)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNN2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCC5=CC=CS5)N)C=CC1=O

InChI

InChI=1S/C25H22N6O3S/c1-2-34-20-12-15(9-10-19(20)32)13-28-31-23(26)21(25(33)27-14-16-6-5-11-35-16)22-24(31)30-18-8-4-3-7-17(18)29-22/h3-13,28H,2,14,26H2,1H3,(H,27,33)