N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: 4-isopropyl-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[(2-methyl-3-nitrophenyl)carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(2-methyl-3-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)13-7-9-14(10-8-13)17(22)20-18(25)19-15-5-4-6-16(12(15)3)21(23)24/h4-11H,1-3H3,(H2,19,20,22,25)