2-[3-(4-propoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(4-propoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(4-propoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-(4-propoxyphenyl)prop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(4-propoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(4-propoxyphenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H24N2O3S/c1-2-13-26-15-10-7-14(8-11-15)9-12-18(24)23-21-19(20(22)25)16-5-3-4-6-17(16)27-21/h7-12H,2-6,13H2,1H3,(H2,22,25)(H,23,24)