3-azanyl-7-ethoxy-N-[(4-methylphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-7-ethoxy-N-[(4-methylphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-7-ethoxy-N-(p-tolylmethyl)thieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-7-ethoxy-N-[(4-methylphenyl)methyl]-2-thieno[2,3-b]quinolinecarboxamide IUPAC Name: 3-amino-7-ethoxy-N-[(4-methylphenyl)methyl]thieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-7-ethoxy-N-(4-methylbenzyl)thieno[2,3-b]quinoline-2-carboxamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NCC4=CC=C(C=C4)C)N

Isomeric SMILES

CCOC1=CC2=NC3=C(C=C2C=C1)C(=C(S3)C(=O)NCC4=CC=C(C=C4)C)N

InChI

InChI=1S/C22H21N3O2S/c1-3-27-16-9-8-15-10-17-19(23)20(28-22(17)25-18(15)11-16)21(26)24-12-14-6-4-13(2)5-7-14/h4-11H,3,12,23H2,1-2H3,(H,24,26)