N-[3-cyano-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-4-methoxy-N-(4-methoxyphenyl)carbonyl-benzamide

Systemtic Name: N-[3-cyano-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-4-methoxy-N-(4-methoxyphenyl)carbonyl-benzamide Openeye Name: N-[3-cyano-4-(2-thienylmethylamino)-2-quinolyl]-4-methoxy-N-(4-methoxybenzoyl)benzamide CAS Name: N-[3-cyano-4-(thiophen-2-ylmethylamino)-2-quinolinyl]-4-methoxy-N-[(4-methoxyphenyl)-oxomethyl]benzamide IUPAC Name: N-[3-cyano-4-(thiophen-2-ylmethylamino)quinolin-2-yl]-4-methoxy-N-(4-methoxybenzoyl)benzamide Traditional Name: N-[3-cyano-4-(2-thenylamino)-2-quinolyl]-4-methoxy-N-p-anisoyl-benzamide Formula: C31H24N4O4S MolecularWeight: 548.61166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(C2=NC3=CC=CC=C3C(=C2C#N)NCC4=CC=CS4)C(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(C2=NC3=CC=CC=C3C(=C2C#N)NCC4=CC=CS4)C(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H24N4O4S/c1-38-22-13-9-20(10-14-22)30(36)35(31(37)21-11-15-23(39-2)16-12-21)29-26(18-32)28(33-19-24-6-5-17-40-24)25-7-3-4-8-27(25)34-29/h3-17H,19H2,1-2H3,(H,33,34)