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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-phenylazanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-anilinophenyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)NC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2S/c32-25(27-22-9-7-21(8-10-22)26-20-4-2-1-3-5-20)29-14-12-28(13-15-29)17-19-6-11-23-24(16-19)31-18-30-23/h1-11,16,26H,12-15,17-18H2,(H,27,32)