thiophen-2-ylmethyl N-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: thiophen-2-ylmethyl N-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: 2-thienylmethyl N-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]carbamic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl N-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-(4-piperonylpiperazine-1-carbonyl)benzyl]carbamic acid 2-thenyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CNC(=O)OCC5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)CNC(=O)OCC5=CC=CS5

InChI

InChI=1S/C26H27N3O5S/c30-25(21-6-3-19(4-7-21)15-27-26(31)32-17-22-2-1-13-35-22)29-11-9-28(10-12-29)16-20-5-8-23-24(14-20)34-18-33-23/h1-8,13-14H,9-12,15-18H2,(H,27,31)