[3-chloranyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-piperidin-1-yl-methanethione

Systemtic Name: [3-chloranyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-piperidin-1-yl-methanethione Openeye Name: [3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(1-piperidyl)methanethione CAS Name: [3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(1-piperidinyl)methanethione IUPAC Name: [3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-piperidin-1-ylmethanethione Traditional Name: [3-chloro-5-methoxy-4-(4-nitrobenzyl)oxy-phenyl]-piperidino-methanethione Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCCCC2)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O4S/c1-26-18-12-15(20(28)22-9-3-2-4-10-22)11-17(21)19(18)27-13-14-5-7-16(8-6-14)23(24)25/h5-8,11-12H,2-4,9-10,13H2,1H3