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

Systemtic Name: 4-(3-methylbutoxy)-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-isopentyloxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-isoamoxy-N-[(2-methyl-3-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=C(C=C2)OCCC(C)C

Isomeric SMILES

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

InChI

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