N-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: N-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: N-cyclopropyl-3-[2-nitro-4-(trifluoromethyl)anilino]-N-(2-thienylmethyl)propanamide CAS Name: N-cyclopropyl-3-[2-nitro-4-(trifluoromethyl)anilino]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: N-cyclopropyl-3-[2-nitro-4-(trifluoromethyl)anilino]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: N-cyclopropyl-3-[2-nitro-4-(trifluoromethyl)anilino]-N-(2-thenyl)propionamide Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CS2)C(=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC1N(CC2=CC=CS2)C(=O)CCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O3S/c19-18(20,21)12-3-6-15(16(10-12)24(26)27)22-8-7-17(25)23(13-4-5-13)11-14-2-1-9-28-14/h1-3,6,9-10,13,22H,4-5,7-8,11H2