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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O3S/c1-14-12-22(9-10-23(14)16-4-6-17(24-2)7-5-16)20(27)21-15-3-8-18-19(11-15)26-13-25-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,27)