N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]thiophene-2-carboxamide CAS Name: N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-[(3-methyl-1-oxobutyl)amino]phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-(cyclopropylmethyl)-N-[2-(dimethylamino)-5-(isovalerylamino)benzyl]thiophene-2-carboxamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC2CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)N(C)C)CN(CC2CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H31N3O2S/c1-16(2)12-22(27)24-19-9-10-20(25(3)4)18(13-19)15-26(14-17-7-8-17)23(28)21-6-5-11-29-21/h5-6,9-11,13,16-17H,7-8,12,14-15H2,1-4H3,(H,24,27)