N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O2S/c26-20(21-17-6-7-18-19(14-17)25-13-12-24-18)23-10-8-22(9-11-23)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,21,26)