3-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-(2-thiophen-2-ylethanoylamino)butanamide

Systemtic Name: 3-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-(2-thiophen-2-ylethanoylamino)butanamide Openeye Name: 3-methyl-N-[(E)-(3-nitrophenyl)methyleneamino]-2-[[2-(2-thienyl)acetyl]amino]butanamide CAS Name: 3-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-[(1-oxo-2-thiophen-2-ylethyl)amino]butanamide IUPAC Name: 3-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]-2-[(2-thiophen-2-ylacetyl)amino]butanamide Traditional Name: 3-methyl-N-[(E)-(3-nitrobenzylidene)amino]-2-[[2-(2-thienyl)acetyl]amino]butyramide Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-])NC(=O)CC2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)N/N=C/C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)CC2=CC=CS2

InChI

InChI=1S/C18H20N4O4S/c1-12(2)17(20-16(23)10-15-7-4-8-27-15)18(24)21-19-11-13-5-3-6-14(9-13)22(25)26/h3-9,11-12,17H,10H2,1-2H3,(H,20,23)(H,21,24)/b19-11+