N-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: N-[4-(4-azanylimidazo[4,5-c]quinolin-1-yl)butyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: N-[4-(4-amino-1-imidazo[4,5-c]quinolinyl)butyl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: N-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=S)C(=O)NCCCCN2C=NC3=C2C4=CC=CC=C4N=C3N

Isomeric SMILES

C1C=CC=C(C1=S)C(=O)NCCCCN2C=NC3=C2C4=CC=CC=C4N=C3N

InChI

InChI=1S/C21H21N5OS/c22-20-18-19(14-7-1-3-9-16(14)25-20)26(13-24-18)12-6-5-11-23-21(27)15-8-2-4-10-17(15)28/h1-4,7-9,13H,5-6,10-12H2,(H2,22,25)(H,23,27)