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

Systemtic Name: (5R)-2-[(4-butoxyphenyl)carbonylamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5R)-2-[(4-butoxybenzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5R)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5R)-2-[(4-butoxybenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5R)-2-[(4-butoxybenzoyl)amino]-5-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=C(C=C1)C(=O)NC2=C(C3=C(S2)CCC(C3)C)C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC[C@H](C3)C)C(=O)N

InChI

InChI=1S/C21H26N2O3S/c1-3-4-11-26-15-8-6-14(7-9-15)20(25)23-21-18(19(22)24)16-12-13(2)5-10-17(16)27-21/h6-9,13H,3-5,10-12H2,1-2H3,(H2,22,24)(H,23,25)/t13-/m1/s1