4-(cyclopropylamino)-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[(4-fluorophenyl)-thiophen-2-yl-methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[(4-fluorophenyl)-(2-thienyl)methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[(4-fluorophenyl)-(2-thienyl)methyl]-3-nitro-benzamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NC(C3=CC=C(C=C3)F)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H18FN3O3S/c22-15-6-3-13(4-7-15)20(19-2-1-11-29-19)24-21(26)14-5-10-17(23-16-8-9-16)18(12-14)25(27)28/h1-7,10-12,16,20,23H,8-9H2,(H,24,26)