4-(4-tert-butylphenoxy)-N-[(2-nitrophenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[(2-nitrophenyl)carbamothioyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[(2-nitrophenyl)carbamothioyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[(2-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[(2-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[(2-nitrophenyl)thiocarbamoyl]butyramide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)15-10-12-16(13-11-15)28-14-6-9-19(25)23-20(29)22-17-7-4-5-8-18(17)24(26)27/h4-5,7-8,10-13H,6,9,14H2,1-3H3,(H2,22,23,25,29)