N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorobenzyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C20H23Cl2N3OS MolecularWeight: 424.38712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H23Cl2N3OS/c1-14-13-24(9-10-25(14)16-4-6-17(26-2)7-5-16)20(27)23-12-15-3-8-18(21)19(22)11-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,27)