N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2-methoxy-5-methyl-benzyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3S/c1-16-3-5-19(26-2)18(11-16)14-24-7-9-25(10-8-24)22(29)23-13-17-4-6-20-21(12-17)28-15-27-20/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,23,29)