2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-bromophenyl)acryloyl]amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23BrN2O2S MolecularWeight: 447.38852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O2S/c1-2-3-14-6-10-16-17(12-14)27-21(19(16)20(23)26)24-18(25)11-7-13-4-8-15(22)9-5-13/h4-5,7-9,11,14H,2-3,6,10,12H2,1H3,(H2,23,26)(H,24,25)/b11-7+