N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-(3-methylbutoxy)benzamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: 3-isopentyloxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: 3-isoamoxy-N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O5S/c1-13(2)9-10-28-16-6-4-5-14(11-16)19(24)22-20(29)21-17-12-15(23(25)26)7-8-18(17)27-3/h4-8,11-13H,9-10H2,1-3H3,(H2,21,22,24,29)