N-[(E)-(5-nitrothiophen-3-yl)methylideneamino]-2-phenethyl-benzamide

Systemtic Name: N-[(E)-(5-nitrothiophen-3-yl)methylideneamino]-2-phenethyl-benzamide Openeye Name: N-[(E)-(5-nitro-3-thienyl)methyleneamino]-2-phenethyl-benzamide CAS Name: N-[(E)-(5-nitro-3-thiophenyl)methylideneamino]-2-phenethylbenzamide IUPAC Name: N-[(E)-(5-nitrothiophen-3-yl)methylideneamino]-2-phenethylbenzamide Traditional Name: N-[(E)-(5-nitro-3-thienyl)methyleneamino]-2-phenethyl-benzamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)NN=CC3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)N/N=C/C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O3S/c24-20(22-21-13-16-12-19(23(25)26)27-14-16)18-9-5-4-8-17(18)11-10-15-6-2-1-3-7-15/h1-9,12-14H,10-11H2,(H,22,24)/b21-13+