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

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(homoveratrylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-26-14-8-7-12(11-15(14)27-2)9-10-22-20(25)23-19-17(18(21)24)13-5-3-4-6-16(13)28-19/h7-8,11H,3-6,9-10H2,1-2H3,(H2,21,24)(H2,22,23,25)