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

Systemtic Name: [3-chloranyl-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Openeye Name: [3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidyl)methanethione CAS Name: [3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(4-methyl-1-piperidinyl)methanethione IUPAC Name: [3-chloro-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(4-methylpiperidin-1-yl)methanethione Traditional Name: [3-chloro-5-methoxy-4-(4-nitrobenzyl)oxy-phenyl]-(4-methylpiperidino)methanethione Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)C2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1CCN(CC1)C(=S)C2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23ClN2O4S/c1-14-7-9-23(10-8-14)21(29)16-11-18(22)20(19(12-16)27-2)28-13-15-3-5-17(6-4-15)24(25)26/h3-6,11-12,14H,7-10,13H2,1-2H3