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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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