4-(4-methylphenoxy)-N-[(2-nitrophenyl)carbamothioyl]butanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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