2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-2-cyano-3-p-cumenyl-acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(=CC3=CC=C(C=C3)C(C)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C(=C/C3=CC=C(C=C3)C(C)C)/C#N

InChI

InChI=1S/C23H25N3O2S/c1-13(2)16-7-5-15(6-8-16)11-17(12-24)22(28)26-23-20(21(25)27)18-9-4-14(3)10-19(18)29-23/h5-8,11,13-14H,4,9-10H2,1-3H3,(H2,25,27)(H,26,28)/b17-11+