N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-methyl-4-nitrophenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3S/c1-11(2)13-4-6-14(7-5-13)17(22)20-18(25)19-16-9-8-15(21(23)24)10-12(16)3/h4-11H,1-3H3,(H2,19,20,22,25)