3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C16H15N3O5S MolecularWeight: 361.3724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5S/c1-9-3-4-10(15(20)21)7-13(9)18-16(25)17-12-6-5-11(19(22)23)8-14(12)24-2/h3-8H,1-2H3,(H,20,21)(H2,17,18,25)