2-(3-methylbutoxy)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 2-(3-methylbutoxy)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-isoamoxy-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

InChI

InChI=1S/C20H23N3O4S/c1-13(2)10-11-27-18-7-5-4-6-16(18)19(24)22-20(28)21-17-9-8-15(23(25)26)12-14(17)3/h4-9,12-13H,10-11H2,1-3H3,(H2,21,22,24,28)