1-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]carbothioylpiperidine-4-carboxamide

Systemtic Name: 1-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]carbothioylpiperidine-4-carboxamide Openeye Name: 1-[4-[(2-chlorophenyl)methoxy]-3-methoxy-benzenecarbothioyl]piperidine-4-carboxamide CAS Name: 1-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-sulfanylidenemethyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzenecarbothioyl]piperidine-4-carboxamide Traditional Name: 1-[4-(2-chlorobenzyl)oxy-3-methoxy-thiobenzoyl]isonipecotamide Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C(=O)N)OCC3=CC=CC=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C(=O)N)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-26-19-12-15(21(28)24-10-8-14(9-11-24)20(23)25)6-7-18(19)27-13-16-4-2-3-5-17(16)22/h2-7,12,14H,8-11,13H2,1H3,(H2,23,25)