2-[4-(3-naphthalen-1-ylpyrrolidin-1-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[4-(3-naphthalen-1-ylpyrrolidin-1-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[4-[3-(1-naphthyl)pyrrolidin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[4-[3-(1-naphthalenyl)-1-pyrrolidinyl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[4-(3-naphthalen-1-ylpyrrolidin-1-yl)butyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[4-[3-(1-naphthyl)pyrrolidino]butyl]-1,2-benzothiazol-3-one Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CC=CC3=CC=CC=C32)CCCCN4C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CC1C2=CC=CC3=CC=CC=C32)CCCCN4C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H26N2O3S/c28-25-23-11-3-4-13-24(23)31(29,30)27(25)16-6-5-15-26-17-14-20(18-26)22-12-7-9-19-8-1-2-10-21(19)22/h1-4,7-13,20H,5-6,14-18H2