2-[(3-butoxyphenyl)carbonylamino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-butoxyphenyl)carbonylamino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-butoxybenzoyl)amino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-butoxyphenyl)-oxomethyl]amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-butoxybenzoyl)amino]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-butoxybenzoyl)amino]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC

InChI

InChI=1S/C21H26N2O3S/c1-3-4-12-26-15-9-7-8-14(13-15)19(24)23-21-18(20(25)22-2)16-10-5-6-11-17(16)27-21/h7-9,13H,3-6,10-12H2,1-2H3,(H,22,25)(H,23,24)