N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H19N5O7S MolecularWeight: 461.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O7S/c1-31-8-2-7-20-17(25)12-3-5-14(6-4-12)21-19(32)22-18(26)13-9-15(23(27)28)11-16(10-13)24(29)30/h3-6,9-11H,2,7-8H2,1H3,(H,20,25)(H2,21,22,26,32)