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

Systemtic Name: 2-[[(Z)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(Z)-3-(4-tert-butylphenyl)-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(Z)-3-(4-tert-butylphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(Z)-3-(4-tert-butylphenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(Z)-3-(4-tert-butylphenyl)-2-cyano-acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(/C#N)\C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C23H25N3O2S/c1-23(2,3)16-10-8-14(9-11-16)12-15(13-24)21(28)26-22-19(20(25)27)17-6-4-5-7-18(17)29-22/h8-12H,4-7H2,1-3H3,(H2,25,27)(H,26,28)/b15-12-