N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-carboxamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]thiophene-2-carboxamide Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(CNC(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)[C@@H](CNC(=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O3S/c28-24(23-7-4-14-31-23)25-16-20(18-8-9-21-22(15-18)30-17-29-21)27-12-10-26(11-13-27)19-5-2-1-3-6-19/h1-9,14-15,20H,10-13,16-17H2,(H,25,28)/t20-/m0/s1