N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(2-methoxy-4-nitrophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H19N5O6S MolecularWeight: 445.44906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c1-30-17-11-13(23(26)27)5-6-14(17)20-19(31)21-18(25)12-4-7-15(16(10-12)24(28)29)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9H2,1H3,(H2,20,21,25,31)