N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]pentanamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-2-[(4-fluorobenzyl)carbamoylamino]valeramide Formula: C21H29FN4O2S MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC(C1=CSC=C1)N(C)C)NC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCCC(C(=O)NCC(C1=CSC=C1)N(C)C)NC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C21H29FN4O2S/c1-4-5-18(25-21(28)24-12-15-6-8-17(22)9-7-15)20(27)23-13-19(26(2)3)16-10-11-29-14-16/h6-11,14,18-19H,4-5,12-13H2,1-3H3,(H,23,27)(H2,24,25,28)