3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]propanamide

Systemtic Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]-N-[1-(phenylmethyl)pyrrolidin-3-yl]propanamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-3-[1-(1,4-dithiepan-6-yl)-4-piperidyl]propanamide CAS Name: 3-[1-(1,4-dithiepan-6-yl)-4-piperidinyl]-N-[1-(phenylmethyl)-3-pyrrolidinyl]propanamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]propanamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-3-[1-(1,4-dithiepan-6-yl)-4-piperidyl]propionamide Formula: C24H37N3OS2 MolecularWeight: 447.70008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)NC2CCN(C2)CC3=CC=CC=C3)C4CSCCSC4

Isomeric SMILES

C1CN(CCC1CCC(=O)NC2CCN(C2)CC3=CC=CC=C3)C4CSCCSC4

InChI

InChI=1S/C24H37N3OS2/c28-24(25-22-10-11-26(17-22)16-21-4-2-1-3-5-21)7-6-20-8-12-27(13-9-20)23-18-29-14-15-30-19-23/h1-5,20,22-23H,6-19H2,(H,25,28)