2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(thiophen-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-(2-thienylmethylcarbamoyl)acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[oxo-(thiophen-2-ylmethylamino)methyl]acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-(2-thenylcarbamoyl)acetamide Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC(=O)NCC2=CC=CS2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)NC(=O)NCC2=CC=CS2

InChI

InChI=1S/C16H17ClN4O4S/c1-20(9-11-7-12(21(24)25)4-5-14(11)17)10-15(22)19-16(23)18-8-13-3-2-6-26-13/h2-7H,8-10H2,1H3,(H2,18,19,22,23)