4-(4-tert-butylphenoxy)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[(4-chloro-3-nitro-phenyl)carbamothioyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]butyramide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S/c1-21(2,3)14-6-9-16(10-7-14)29-12-4-5-19(26)24-20(30)23-15-8-11-17(22)18(13-15)25(27)28/h6-11,13H,4-5,12H2,1-3H3,(H2,23,24,26,30)