4-(4-methylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]butanamide

Systemtic Name: 4-(4-methylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]butanamide Openeye Name: 4-(4-methylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]butanamide CAS Name: 4-(4-methylphenoxy)-N-[(4-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 4-(4-methylphenoxy)-N-[(4-nitrophenyl)carbamothioyl]butanamide Traditional Name: 4-(4-methylphenoxy)-N-[(4-nitrophenyl)thiocarbamoyl]butyramide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-13-4-10-16(11-5-13)25-12-2-3-17(22)20-18(26)19-14-6-8-15(9-7-14)21(23)24/h4-11H,2-3,12H2,1H3,(H2,19,20,22,26)