(2S)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(isopropylcarbamoylamino)benzyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C2CCCN2C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H26N4O3S/c1-14(2)23-21(28)24-16-9-7-15(8-10-16)13-22-19(26)17-5-3-11-25(17)20(27)18-6-4-12-29-18/h4,6-10,12,14,17H,3,5,11,13H2,1-2H3,(H,22,26)(H2,23,24,28)/t17-/m0/s1