2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(3,4-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OC

InChI

InChI=1S/C20H24N2O4S/c1-25-14-9-7-12(11-15(14)26-2)8-10-17(23)22-20-18(19(21)24)13-5-3-4-6-16(13)27-20/h7,9,11H,3-6,8,10H2,1-2H3,(H2,21,24)(H,22,23)