4-(4-tert-butylphenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]butyramide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CCCOC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H27N3O4S/c1-15-7-10-17(25(27)28)14-19(15)23-21(30)24-20(26)6-5-13-29-18-11-8-16(9-12-18)22(2,3)4/h7-12,14H,5-6,13H2,1-4H3,(H2,23,24,26,30)