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

Systemtic Name: 4-(4-chloranylphenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[(2-methyl-5-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]butyramide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4S/c1-12-4-7-14(22(24)25)11-16(12)20-18(27)21-17(23)3-2-10-26-15-8-5-13(19)6-9-15/h4-9,11H,2-3,10H2,1H3,(H2,20,21,23,27)