2-[(2-cyano-3-quinolin-4-yl-prop-2-enoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-cyano-3-quinolin-4-yl-prop-2-enoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-cyano-3-(4-quinolyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-cyano-1-oxo-3-(4-quinolinyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-cyano-3-quinolin-4-ylprop-2-enoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-cyano-3-(4-quinolyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC=NC4=CC=CC=C34)C#N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC=NC4=CC=CC=C34)C#N)C(=O)N

InChI

InChI=1S/C22H18N4O2S/c23-12-14(11-13-9-10-25-17-7-3-1-5-15(13)17)21(28)26-22-19(20(24)27)16-6-2-4-8-18(16)29-22/h1,3,5,7,9-11H,2,4,6,8H2,(H2,24,27)(H,26,28)