N-(2-methoxy-4-nitro-phenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)pyrrolidine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)pyrrolidine-1-carbothioamide Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCCC2

InChI

InChI=1S/C12H15N3O3S/c1-18-11-8-9(15(16)17)4-5-10(11)13-12(19)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3,(H,13,19)