N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-(2-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C22H29N3O2S/c1-17-8-9-19(16-18(17)2)28-15-10-23-22(26)25-13-11-24(12-14-25)20-6-4-5-7-21(20)27-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)