N-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-3,5-dimethoxy-benzamide Openeye Name: N-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyleneamino]-3,5-dimethoxy-benzamide CAS Name: N-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylideneamino]-3,5-dimethoxybenzamide IUPAC Name: N-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-3,5-dimethoxybenzamide Traditional Name: N-[[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]amino]-3,5-dimethoxy-benzamide Formula: C22H18ClN3O5S MolecularWeight: 471.91342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NN=CC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H18ClN3O5S/c1-30-17-10-15(11-18(12-17)31-2)22(27)25-24-13-14-3-8-21(20(9-14)26(28)29)32-19-6-4-16(23)5-7-19/h3-13H,1-2H3,(H,25,27)