1-[4-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]butyl]-1-(5-cyano-1-benzothiophen-2-yl)urea

Systemtic Name: 1-[4-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]butyl]-1-(5-cyano-1-benzothiophen-2-yl)urea Openeye Name: 1-[4-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]butyl]-1-(5-cyanobenzothiophen-2-yl)urea CAS Name: 1-[4-[4-(1,3-benzodioxol-4-yl)-1-piperazinyl]butyl]-1-(5-cyano-1-benzothiophen-2-yl)urea IUPAC Name: 1-[4-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]butyl]-1-(5-cyano-1-benzothiophen-2-yl)urea Traditional Name: 1-[4-[4-(1,3-benzodioxol-4-yl)piperazino]butyl]-1-(5-cyanobenzothiophen-2-yl)urea Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN(C2=CC3=C(S2)C=CC(=C3)C#N)C(=O)N)C4=C5C(=CC=C4)OCO5

Isomeric SMILES

C1CN(CCN1CCCCN(C2=CC3=C(S2)C=CC(=C3)C#N)C(=O)N)C4=C5C(=CC=C4)OCO5

InChI

InChI=1S/C25H27N5O3S/c26-16-18-6-7-22-19(14-18)15-23(34-22)30(25(27)31)9-2-1-8-28-10-12-29(13-11-28)20-4-3-5-21-24(20)33-17-32-21/h3-7,14-15H,1-2,8-13,17H2,(H2,27,31)