4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-(2-morpholinoethyl)piperazine-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-[2-(4-morpholinyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(2-morpholinoethyl)piperazine-1-carbothioamide Formula: C21H34N4O3S MolecularWeight: 422.58466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=S)NCCN3CCOCC3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=S)NCCN3CCOCC3)OC)OC

InChI

InChI=1S/C21H34N4O3S/c1-17-14-19(26-2)20(27-3)15-18(17)16-24-6-8-25(9-7-24)21(29)22-4-5-23-10-12-28-13-11-23/h14-15H,4-13,16H2,1-3H3,(H,22,29)