4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2,6-dichlorophenyl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(2,6-dichlorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2,6-dichlorophenyl)methyl]-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-dichlorobenzyl)-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C19H20Cl2N4O3S MolecularWeight: 455.3581

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C19H20Cl2N4O3S/c1-28-18-11-13(25(26)27)5-6-17(18)22-19(29)24-9-7-23(8-10-24)12-14-15(20)3-2-4-16(14)21/h2-6,11H,7-10,12H2,1H3,(H,22,29)