N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)-3-methyl-N-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3S/c1-15-13-23(9-10-24(15)17-4-6-18(25-2)7-5-17)21(28)22-12-16-3-8-19-20(11-16)27-14-26-19/h3-8,11,15H,9-10,12-14H2,1-2H3,(H,22,28)