N-[4-(dimethylamino)-3-[[propyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl]cyclobutanecarboxamide

Systemtic Name: N-[4-(dimethylamino)-3-[[propyl(2-thiophen-2-ylethanoyl)amino]methyl]phenyl]cyclobutanecarboxamide Openeye Name: N-[4-(dimethylamino)-3-[[propyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl]cyclobutanecarboxamide CAS Name: N-[4-(dimethylamino)-3-[[(1-oxo-2-thiophen-2-ylethyl)-propylamino]methyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[4-(dimethylamino)-3-[[propyl-(2-thiophen-2-ylacetyl)amino]methyl]phenyl]cyclobutanecarboxamide Traditional Name: N-[4-(dimethylamino)-3-[[propyl-[2-(2-thienyl)acetyl]amino]methyl]phenyl]cyclobutanecarboxamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=C(C=CC(=C1)NC(=O)C2CCC2)N(C)C)C(=O)CC3=CC=CS3

Isomeric SMILES

CCCN(CC1=C(C=CC(=C1)NC(=O)C2CCC2)N(C)C)C(=O)CC3=CC=CS3

InChI

InChI=1S/C23H31N3O2S/c1-4-12-26(22(27)15-20-9-6-13-29-20)16-18-14-19(10-11-21(18)25(2)3)24-23(28)17-7-5-8-17/h6,9-11,13-14,17H,4-5,7-8,12,15-16H2,1-3H3,(H,24,28)