1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-3-phenyl-thiourea Openeye Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-3-phenyl-thiourea CAS Name: 1-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropyl]amino]-3-phenylthiourea IUPAC Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-3-phenylthiourea Traditional Name: 1-phenyl-3-[3-(4-piperonylpiperazino)propanoylamino]thiourea Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NNC(=S)NC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CCC(=O)NNC(=S)NC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N5O3S/c28-21(24-25-22(31)23-18-4-2-1-3-5-18)8-9-26-10-12-27(13-11-26)15-17-6-7-19-20(14-17)30-16-29-19/h1-7,14H,8-13,15-16H2,(H,24,28)(H2,23,25,31)