1-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-phenethyl-urea

Systemtic Name: 1-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-phenethyl-urea Openeye Name: 1-[(E)-(5-nitro-2-thienyl)methyleneamino]-3-phenethyl-urea CAS Name: 1-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-3-phenethylurea IUPAC Name: 1-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-3-phenethylurea Traditional Name: 1-[(E)-(5-nitro-2-thienyl)methyleneamino]-3-phenethyl-urea Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)N/N=C/C2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O3S/c19-14(15-9-8-11-4-2-1-3-5-11)17-16-10-12-6-7-13(22-12)18(20)21/h1-7,10H,8-9H2,(H2,15,17,19)/b16-10+