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

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]butyramide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-22(2,3)15-7-9-16(10-8-15)30-13-5-6-20(26)24-21(31)23-18-12-11-17(29-4)14-19(18)25(27)28/h7-12,14H,5-6,13H2,1-4H3,(H2,23,24,26,31)