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

Systemtic Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]cyclobutanecarboxamide Openeye Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]cyclobutanecarboxamide CAS Name: N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]cyclobutanecarboxamide IUPAC Name: N-[(2-methyl-4-nitrophenyl)carbamothioyl]cyclobutanecarboxamide Traditional Name: N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]cyclobutanecarboxamide Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2CCC2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2CCC2

InChI

InChI=1S/C13H15N3O3S/c1-8-7-10(16(18)19)5-6-11(8)14-13(20)15-12(17)9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H2,14,15,17,20)