N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-3-isopropoxy-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=CC=C2)OC(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=CC=C2)OC(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-10(2)26-13-6-4-5-12(8-13)17(23)21-18(27)20-15-9-14(19)16(22(24)25)7-11(15)3/h4-10H,1-3H3,(H2,20,21,23,27)