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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl

InChI

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