2-[4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[1-(1,3-benzothiazol-2-yl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[[1-(1,3-benzothiazol-2-yl)-4-piperidinyl]-oxomethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-[1-(1,3-benzothiazol-2-yl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[1-(1,3-benzothiazol-2-yl)isonipecotoyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C28H35N5O2S MolecularWeight: 505.6748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4S3)CC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4S3)CC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H35N5O2S/c34-26(29-14-11-22-7-2-1-3-8-22)21-31-15-6-16-32(20-19-31)27(35)23-12-17-33(18-13-23)28-30-24-9-4-5-10-25(24)36-28/h1-5,7-10,23H,6,11-21H2,(H,29,34)