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

Systemtic Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide Openeye Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-4-phenoxy-butanamide CAS Name: N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]-4-phenoxybutanamide IUPAC Name: N-[(2-methyl-4-nitrophenyl)carbamothioyl]-4-phenoxybutanamide Traditional Name: N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]-4-phenoxy-butyramide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-13-12-14(21(23)24)9-10-16(13)19-18(26)20-17(22)8-5-11-25-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H2,19,20,22,26)